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QCaml/Notebooks/F12_matrix.ipynb

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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Test of F12 matrix elements"
]
},
{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
"## Initialization"
]
},
{
"cell_type": "code",
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"execution_count": 34,
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"metadata": {},
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"outputs": [
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{
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"name": "stdout",
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"output_type": "stream",
"text": [
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"- : unit = ()\n",
"Findlib has been successfully loaded. Additional directives:\n",
" #require \"package\";; to load a package\n",
" #list;; to list the available packages\n",
" #camlp4o;; to load camlp4 (standard syntax)\n",
" #camlp4r;; to load camlp4 (revised syntax)\n",
" #predicates \"p,q,...\";; to set these predicates\n",
" Topfind.reset();; to force that packages will be reloaded\n",
" #thread;; to enable threads\n",
"\n",
"- : unit = ()\n"
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]
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}
],
"source": [
"#cd \"/home/scemama/QCaml\";;\n",
"#use \"topfind\";;\n",
"#require \"jupyter.notebook\";;\n",
"\n",
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"#require \"lacaml.top\";;\n",
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"#require \"alcotest\";;\n",
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"#require \"str\";;\n",
"#require \"bigarray\";;\n",
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"#require \"zarith\";;\n",
"#require \"getopt\";;\n",
"#directory \"_build\";;\n",
"#directory \"_build/Basis\";;\n",
"#directory \"_build/CI\";;\n",
"#directory \"_build/MOBasis\";;\n",
"#directory \"_build/Nuclei\";;\n",
"#directory \"_build/Parallel\";;\n",
"#directory \"_build/Perturbation\";;\n",
"#directory \"_build/SCF\";;\n",
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"#directory \"_build/Utils\";;"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Modules to load"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {},
"outputs": [],
"source": [
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"#load \"Constants.cmo\";;\n",
"#load_rec \"Util.cma\";;\n",
"#load_rec \"Matrix.cmo\";;\n",
"#load_rec \"Simulation.cmo\";;\n",
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"#load_rec \"Spindeterminant.cmo\";;\n",
"#load_rec \"Determinant.cmo\";;\n",
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"#load_rec \"HartreeFock.cmo\";;\n",
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"#load_rec \"MOBasis.cmo\";;\n",
"#load_rec \"F12CI.cmo\";;\n",
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"\n",
"open Lacaml.D;;"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Printers"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {},
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"outputs": [
{
"data": {
"text/plain": [
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"val pp_mo : Format.formatter -> MOBasis.t -> unit = <fun>\n"
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]
},
"execution_count": 3,
"metadata": {},
"output_type": "execute_result"
}
],
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"source": [
"#install_printer AngularMomentum.pp_string ;;\n",
"#install_printer Basis.pp ;;\n",
"#install_printer Charge.pp ;;\n",
"#install_printer Coordinate.pp ;;\n",
"#install_printer Vector.pp;;\n",
"#install_printer Matrix.pp;;\n",
"#install_printer Util.pp_float_2darray;;\n",
"#install_printer Util.pp_float_array;;\n",
"#install_printer Util.pp_matrix;;\n",
"#install_printer HartreeFock.pp ;;\n",
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"#install_printer Fock.pp ;;\n",
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"#install_printer MOClass.pp ;;\n",
"let pp_mo ppf t = MOBasis.pp ~start:1 ~finish:0 ppf t ;;\n",
"#install_printer pp_mo;;\n",
"#install_printer DeterminantSpace.pp;;\n",
"#install_printer SpindeterminantSpace.pp;;\n",
"#install_printer Bitstring.pp;;\n"
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]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
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"## Run"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Simulation\n"
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]
},
{
"cell_type": "code",
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"execution_count": 4,
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"metadata": {
"collapsed": true
},
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"outputs": [
{
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"data": {
"text/plain": [
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"val basis_filename : string = \"/home/scemama/qp2/data/basis/6-31g\"\n"
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]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
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"val aux_basis_filename : string = \"/home/scemama/qp2/data/basis/cc-pvdz\"\n"
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]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val nuclei : Nuclei.t = [|(Element.Be, 0.0000 0.0000 0.0000)|]\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
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{
"data": {
"text/plain": [
"val frozen_core : bool = false\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
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{
"data": {
"text/plain": [
"val multiplicity : int = 1\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val state : int = 1\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
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{
"data": {
"text/plain": [
"val basis : Basis.t =\n",
" \n",
" Atomic Basis set\n",
" ----------------\n",
"\n",
"-----------------------------------------------------------------------\n",
" # Angular Coordinates (Bohr) Exponents Coefficients\n",
" Momentum X Y Z\n",
"-----------------------------------------------------------------------\n",
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" 1-3 S 0.0000 0.0000 0.0000 1.26458570e+03 1.94480000e-03\n",
" 1.89936810e+02 1.48351000e-02\n",
" 4.31590890e+01 7.20906000e-02\n",
" 1.20986630e+01 2.37154200e-01\n",
" 3.80632320e+00 4.69198700e-01\n",
" 1.27289030e+00 3.56520200e-01\n",
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" \n",
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" 3.19646310e+00 -1.12648700e-01\n",
" 7.47813300e-01 -2.29506400e-01\n",
" 2.19966300e-01 1.18691670e+00\n",
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" \n",
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" 8.23099000e-02 1.00000000e+00\n",
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" \n",
" \n",
"-----------------------------------------------------------------------\n",
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" 3-8 P 0.0000 0.0000 0.0000 3.19646310e+00 5.59802000e-02\n",
" 7.47813300e-01 2.61550600e-01\n",
" 2.19966300e-01 7.93972300e-01\n",
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" \n",
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" 8.23099000e-02 1.00000000e+00\n",
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" \n",
" \n",
"-----------------------------------------------------------------------\n",
"\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val aux_basis : Basis.t =\n",
" \n",
" Atomic Basis set\n",
" ----------------\n",
"\n",
"-----------------------------------------------------------------------\n",
" # Angular Coordinates (Bohr) Exponents Coefficients\n",
" Momentum X Y Z\n",
"-----------------------------------------------------------------------\n",
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" 1-6 S 0.0000 0.0000 0.0000 1.26458570e+03 1.94480000e-03\n",
" 1.89936810e+02 1.48351000e-02\n",
" 4.31590890e+01 7.20906000e-02\n",
" 1.20986630e+01 2.37154200e-01\n",
" 3.80632320e+00 4.69198700e-01\n",
" 1.27289030e+00 3.56520200e-01\n",
" \n",
" 3.19646310e+00 -1.12648700e-01\n",
" 7.47813300e-01 -2.29506400e-01\n",
" 2.19966300e-01 1.18691670e+00\n",
" \n",
" 8.23099000e-02 1.00000000e+00\n",
" \n",
" 2.94000000e+03 6.80000000e-04\n",
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" 4.41200000e+02 5.23600000e-03\n",
" 1.00500000e+02 2.66060000e-02\n",
" 2.84300000e+01 9.99930000e-02\n",
" 9.16900000e+00 2.69702000e-01\n",
" 3.19600000e+00 4.51469000e-01\n",
" 1.15900000e+00 2.95074000e-01\n",
" 1.81100000e-01 1.25870000e-02\n",
" \n",
" 2.94000000e+03 -1.23000000e-04\n",
" 4.41200000e+02 -9.66000000e-04\n",
" 1.00500000e+02 -4.83100000e-03\n",
" 2.84300000e+01 -1.93140000e-02\n",
" 9.16900000e+00 -5.32800000e-02\n",
" 3.19600000e+00 -1.20723000e-01\n",
" 1.15900000e+00 -1.33435000e-01\n",
" 1.81100000e-01 5.30767000e-01\n",
" \n",
" 5.89000000e-02 1.00000000e+00\n",
" \n",
" \n",
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"-----------------------------------------------------------------------\n",
" 3-14 P 0.0000 0.0000 0.0000 3.19646310e+00 5.59802000e-02\n",
" 7.47813300e-01 2.61550600e-01\n",
" 2.19966300e-01 7.93972300e-01\n",
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" \n",
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" 8.23099000e-02 1.00000000e+00\n",
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" \n",
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" 3.61900000e+00 2.91110000e-02\n",
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" 7.11000000e-01 1.69365000e-01\n",
" 1.95100000e-01 5.13458000e-01\n",
" \n",
" 6.01800000e-02 1.00000000e+00\n",
" \n",
" \n",
"-----------------------------------------------------------------------\n",
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" 19-24 D 0.0000 0.0000 0.0000 2.38000000e-01 1.00000000e+00\n",
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" \n",
" \n",
"-----------------------------------------------------------------------\n",
"\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val f12 : F12factor.t =\n",
" {F12factor.expo_s = 1.;\n",
" gaussian =\n",
" {GaussianOperator.coef_g =\n",
" [ -0.314400 -0.303700 -0.168100 -0.098110 -0.060240 -0.037260 ];\n",
" expo_sg =\n",
" [ 0.220900 1.004000 3.622000 12.160000 45.870000 254.400000 ];\n",
" expo_sg_inv =\n",
" [ 4.526935 0.996016 0.276091 0.082237 0.021801 0.003931 ]}}\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val charge : int = 0\n"
]
},
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
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},
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{
"data": {
"text/plain": [
"val simulation : Simulation.t = <abstr>\n"
]
},
"execution_count": 4,
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"metadata": {},
"output_type": "execute_result"
}
],
"source": [
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"let basis_filename = \"/home/scemama/qp2/data/basis/6-31g\" \n",
"let aux_basis_filename = \"/home/scemama/qp2/data/basis/cc-pvdz\" \n",
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"let nuclei = Nuclei.of_zmt_string \"be\" \n",
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"let frozen_core = false\n",
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"let multiplicity = 1\n",
"let state = 1\n",
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"\n",
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"let basis = Basis.of_nuclei_and_basis_filenames ~nuclei [basis_filename] \n",
"let aux_basis = Basis.of_nuclei_and_basis_filenames ~nuclei (basis_filename :: aux_basis_filename :: []) \n",
"let f12 = F12factor.gaussian_geminal 1.0 \n",
"let charge = 0 \n",
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"\n",
"\n",
"let simulation =\n",
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" Simulation.make \n",
" ~f12 ~charge ~multiplicity ~nuclei\n",
" ~cartesian:true\n",
" basis\n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
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"### Hartree-Fock"
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]
},
{
"cell_type": "code",
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"execution_count": 5,
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"metadata": {},
"outputs": [
{
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"name": "stdout",
"output_type": "stream",
"text": [
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"15 significant shell pairs computed in 0.005049 seconds\n",
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"1\n",
"2\n",
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"5\n",
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"6\n",
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"Computed ERIs in 0.026118 seconds\n",
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"MOs =\n",
"\n",
"\n",
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" -- 1 -- -- 2 -- -- 3 -- -- 4 -- -- 5 --\n",
" 1 0.997996 -0.22266 0 0 -0\n",
" 2 0.0161427 0.288767 2.2404E-15 0 -7.73804E-16\n",
" 3 0 3.58344E-16 0.258415 0.037609 0.0381979\n",
" ... ... ... ... ...\n",
" 7 0 0 0.78727 0.114442 0.116234\n",
" 8 0 0 -0.128237 0.0798944 0.789475\n",
" 9 0 0 -0.100874 0.791587 -0.0964853\n",
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" \n",
"\n",
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" -- 6 -- -- 7 -- -- 8 -- -- 9 --\n",
" 1 0.00338551 0 -0 0\n",
" 2 2.01724 -3.80748E-15 4.70544E-15 -6.99768E-16\n",
" 3 1.56069E-15 1.292 0.249105 0.0981672\n",
" ... ... ... ...\n",
" 7 -2.3622E-15 -1.05652 -0.20374 -0.0802898\n",
" 8 1.64398E-15 0.172096 -0.528064 -0.92522\n",
" 9 2.61906E-15 0.135375 -0.918775 0.549573\n",
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" \n"
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]
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},
{
"data": {
"text/plain": [
"val hf : HartreeFock.t = \n",
"======================================================================\n",
" Restricted Hartree-Fock \n",
"======================================================================\n",
"\n",
" ------------------------------------------------------------\n",
" # HF energy Convergence HOMO-LUMO\n",
" ------------------------------------------------------------\n",
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" 1 -14.35428398 3.4264e-01 0.3789\n",
" 2 -14.52767889 1.8460e-01 0.3848\n",
" 3 -14.56058094 7.7052e-02 0.3856\n",
" 4 -14.56582672 3.0375e-02 0.3848\n",
" 5 -14.56662378 1.1794e-02 0.3842\n",
" 6 -14.56676403 1.7857e-06 0.3837\n",
" 7 -14.56676404 1.7598e-08 0.3837\n",
" 8 -14.56676403 1.3644e-09 0.3837\n",
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" ------------------------------------------------------------\n",
"\n",
"\n",
" ============================================================\n",
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" One-electron energy -19.1171562840\n",
" Kinetic 14.6787428206\n",
" Potential -33.7958991046\n",
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" -------------------------------------------------------- \n",
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" Two-electron energy 4.5503922505\n",
" Coulomb 7.2329463384\n",
" Exchange -2.6825540879\n",
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" -------------------------------------------------------- \n",
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" HF HOMO -8.1986650549\n",
" HF LUMO 2.2431802579\n",
" HF LUMO-LUMO 10.4418453128\n",
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" -------------------------------------------------------- \n",
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" Electronic energy -14.5667640335\n",
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" Nuclear repulsion 0.0000000000\n",
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" Hartree-Fock energy -14.5667640335\n",
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" ============================================================\n",
" \n",
"\n"
]
},
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"execution_count": 5,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val mo_basis : MOBasis.t =\n",
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" Eigenvalues: -4.706891 -0.301295 0.082435 0.082435 0.082435 \n",
" -- 1 -- -- 2 -- -- 3 -- -- 4 -- -- 5 --\n",
" 1 0.997996 -0.22266 0 0 -0\n",
" 2 0.0161427 0.288767 2.2404E-15 0 -7.73804E-16\n",
" 3 0 3.58344E-16 0.258415 0.037609 0.0381979\n",
" ... ... ... ... ...\n",
" 7 0 0 0.78727 0.114442 0.116234\n",
" 8 0 0 -0.128237 0.0798944 0.789475\n",
" 9 0 0 -0.100874 0.791587 -0.0964853\n",
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" \n",
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" Eigenvalues: 0.439754 0.464931 0.464931 0.464931 \n",
" -- 6 -- -- 7 -- -- 8 -- -- 9 --\n",
" 1 0.00338551 0 -0 0\n",
" 2 2.01724 -3.80748E-15 4.70544E-15 -6.99768E-16\n",
" 3 1.56069E-15 1.292 0.249105 0.0981672\n",
" ... ... ... ...\n",
" 7 -2.3622E-15 -1.05652 -0.20374 -0.0802898\n",
" 8 1.64398E-15 0.172096 -0.528064 -0.92522\n",
" 9 2.61906E-15 0.135375 -0.918775 0.549573\n",
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" \n",
" \n"
]
},
"execution_count": 5,
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"metadata": {},
"output_type": "execute_result"
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}
],
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"source": [
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"let hf = HartreeFock.make ~guess:`Hcore simulation ;;\n",
"\n",
"let mo_basis = MOBasis.of_hartree_fock hf"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
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"# FCI-F12"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Notations:\n",
"\n",
"* $\\langle ij || kl \\rangle = \\int \\phi_i(r_1) \\phi_j(r_2) \\frac{1}{r_{12}} \\phi_k(r1) \\phi_l(r2) $ \n",
"* $\\left[ ij || kl \\right] = \\int \\phi_i(r_1) \\phi_j(r_2) f_{12} \\phi_k(r1) \\phi_l(r2) $ \n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Common functions"
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]
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},
{
"cell_type": "code",
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"execution_count": 6,
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"metadata": {
"collapsed": true
},
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"outputs": [
{
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"data": {
"text/plain": [
"val f12 : F12factor.t =\n",
" {F12factor.expo_s = 1.;\n",
" gaussian =\n",
" {GaussianOperator.coef_g =\n",
" [ -0.314400 -0.303700 -0.168100 -0.098110 -0.060240 -0.037260 ];\n",
" expo_sg =\n",
" [ 0.220900 1.004000 3.622000 12.160000 45.870000 254.400000 ];\n",
" expo_sg_inv =\n",
" [ 4.526935 0.996016 0.276091 0.082237 0.021801 0.003931 ]}}\n"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val mo_num : int = 9\n"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val pp_spindet : Format.formatter -> Spindeterminant.t -> unit = <fun>\n"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val pp_det : Format.formatter -> Determinant.t -> unit = <fun>\n"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"let f12 = Util.of_some @@ Simulation.f12 simulation \n",
"\n",
"let mo_num = MOBasis.size mo_basis \n",
"\n",
"let pp_spindet = Spindeterminant.pp mo_num\n",
"\n",
"let pp_det = Determinant.pp mo_num\n",
"\n",
";;\n",
"\n",
"#install_printer pp_spindet ;;\n",
"#install_printer pp_det ;;\n",
"\n"
]
},
{
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"cell_type": "code",
"execution_count": 41,
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"metadata": {},
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"outputs": [
{
"data": {
"text/plain": [
"val simulation_aux : Simulation.t = <abstr>\n"
]
},
"execution_count": 41,
"metadata": {},
"output_type": "execute_result"
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"66 significant shell pairs computed in 0.046587 seconds\n",
"1\n",
"2\n",
"5\n",
"6\n",
"9\n",
"10\n",
"11\n",
"12\n",
"15\n",
"18\n",
"Computed ERIs in 0.838468 seconds\n"
]
},
{
"data": {
"text/plain": [
"val aux_basis : MOBasis.t =\n",
" Eigenvalues: -4.706891 -0.301295 0.082435 0.082435 0.082435 \n",
" -- 1 -- -- 2 -- -- 3 -- -- 4 -- -- 5 --\n",
" 1 0.997996 -0.22266 2.05804E-11 -2.45276E-11 -3.38664E-11\n",
" 2 0.0161427 0.288767 1.29028E-13 -4.66614E-13 -2.87639E-13\n",
" 3 7.67138E-14 -2.34082E-13 0.258415 0.037609 0.0381979\n",
" ... ... ... ... ...\n",
" 22 0 -0 -1.40182E-15 -0 1.13513E-15\n",
" 23 0 -0 -0 -0 -0\n",
" 24 0 -0 2.90221E-15 -0 -2.25618E-15\n",
" \n",
" Eigenvalues: 0.439754 0.464931 0.464931 0.464931 0.660117 \n",
" -- 6 -- -- 7 -- -- 8 -- -- 9 -- -- 10 --\n",
" 1 0.00338551 -2.87533E-12 5.92149E-12 2.58137E-11 3.14737E-13\n",
" 2 2.01724 -2.06663E-13 3.24812E-13 4.35351E-13 -0\n",
" 3 6.96687E-13 1.292 0.249105 0.0981672 2.00253E-13\n",
" ... ... ... ... ...\n",
" 22 0 0 0 0 -0.5\n",
" 23 0 0 0 0 -0\n",
" 24 0 0 0 0 1\n",
" \n",
" Eigenvalues: 0.433378 0.433378 0.433378 0.537189 1.472504 \n",
" -- 11 -- -- 12 -- -- 13 -- -- 14 -- -- 15 --\n",
" 1 -3.1855E-10 -1.45038E-10 9.70936E-11 0.115135 -9.83241E-09\n",
" 2 -5.48554E-13 -3.00961E-12 -5.66247E-13 -4.32959 -8.10624E-11\n",
" 3 -1.52659 0.00199533 -2.64031 -5.04962E-12 -0.836227\n",
" ... ... ... ... ...\n",
" 22 -0 -0 -0 -0 5.18471E-14\n",
" 23 -0 -0 -0 -0 0\n",
" 24 -0 -0 -0 -0 0\n",
" \n",
" Eigenvalues: 1.472504 1.472504 3.680273 196.285558 0.660132 \n",
" -- 16 -- -- 17 -- -- 18 -- -- 19 -- -- 20 --\n",
" 1 -1.18911E-09 -5.87575E-09 1.66692 474.162 -0.132871\n",
" 2 -3.00745E-11 4.42591E-11 -37.0339 3.05497 -0.000856076\n",
" 3 -51.1555 -9.07442 2.08842E-11 -1.60062E-10 3.13488E-12\n",
" ... ... ... ... ...\n",
" 22 -5.70005E-14 0 0 -0.000293031 -0.843512\n",
" 23 -0 0 0 -2.65244E-07 0.000101347\n",
" 24 -0 0 0 0 -0\n",
" \n",
" Eigenvalues: 0.660124 0.660127 0.660117 \n",
" -- 21 -- -- 22 -- -- 23 --\n",
" 1 0.0857346 0.106898 1.4354E-10\n",
" 2 0.000552378 0.000688731 1.11506E-12\n",
" 3 -2.93742E-13 1.81128E-14 -0\n",
" ... ... ...\n",
" 22 0.117142 0.15737 -0.000111392\n",
" 23 0.000892386 0.000586787 0.999999\n",
" 24 -0 -0 -0\n",
" \n",
" \n"
]
},
"execution_count": 41,
"metadata": {},
"output_type": "execute_result"
}
],
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"source": [
"let simulation_aux = \n",
" let charge = Charge.to_int @@ Simulation.charge simulation \n",
" and multiplicity = Electrons.multiplicity @@ Simulation.electrons simulation\n",
" and nuclei = Simulation.nuclei simulation\n",
" in\n",
" let general_basis = \n",
" Basis.general_basis @@ Simulation.basis simulation\n",
" in\n",
" GeneralBasis.combine [\n",
" general_basis ; GeneralBasis.read aux_basis_filename\n",
" ]\n",
" |> Basis.of_nuclei_and_general_basis nuclei\n",
" |> Simulation.make ~f12 ~charge ~multiplicity ~nuclei \n",
"\n",
"\n",
"let aux_basis = \n",
" MOBasis.of_mo_basis simulation_aux mo_basis\n",
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" "
]
},
{
"cell_type": "code",
"execution_count": 42,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"66 significant shell pairs computed in 0.843073 seconds\n",
"1\n",
"2\n",
"5\n",
"6\n",
"9\n",
"10\n",
"11\n",
"12\n",
"15\n",
"18\n",
"Computed ERIs in 17.080776 seconds\n"
]
},
{
"name": "stderr",
"output_type": "stream",
"text": [
"4-idx transformation \n",
"23 / 23\n",
"4-idx transformation \n",
"23 / 23\n"
]
}
],
"source": [
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"let () = ignore @@ MOBasis.f12_ints aux_basis\n",
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"let () = ignore @@ MOBasis.two_e_ints aux_basis"
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]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Determinant-based functions"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Integrals"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"$\\langle I | \\hat{H} | J \\rangle = \\begin{cases}\n",
"\\sum_i h_{ii} + \\frac{1}{2} \\sum_{ij} \\langle ij || ij \\rangle \\text{ when } |J\\rangle = |I\\rangle \\\\\n",
"h_{ik} + \\sum_{j} \\langle ij || kj \\rangle \\text{ when } |J\\rangle = \\hat{T}_i^k |I\\rangle \\\\\n",
"\\langle ij || kl \\rangle \\text{ when } |J\\rangle = \\hat{T}_{ij}^{kl} |I\\rangle \\\\\n",
"\\end{cases}$\n",
"\n",
"\n",
"$\\langle I | \\hat{F} | J \\rangle = \\begin{cases}\n",
"\\sum_i f_{ii} + \\frac{1}{2} \\sum_{ij} \\langle ij || ij \\rangle \\text{ when } |J\\rangle = |I\\rangle \\\\\n",
"f_{ik} + \\sum_{j} \\langle ij || kj \\rangle \\text{ when } |J\\rangle = \\hat{T}_i^k |I\\rangle \\\\\n",
"\\langle ij || kl \\rangle \\text{ when } |J\\rangle = \\hat{T}_{ij}^{kl} |I\\rangle \\\\\n",
"\\end{cases}$"
]
},
{
"cell_type": "code",
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"execution_count": 8,
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"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"val cancel_singles : bool = false\n"
]
},
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"execution_count": 8,
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"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val f12_integrals :\n",
" MOBasis.t ->\n",
" ('a -> 'b -> 'c -> float) *\n",
" (int -> int -> int -> int -> 'd -> 'd -> float) * 'e option = <fun>\n"
]
},
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"execution_count": 8,
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"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val h_ij : MOBasis.t -> CIMatrixElement.De.t -> CIMatrixElement.De.t -> float =\n",
" <fun>\n"
]
},
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"execution_count": 8,
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"metadata": {},
"output_type": "execute_result"
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},
{
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"data": {
"text/plain": [
"val f_ij : MOBasis.t -> CIMatrixElement.De.t -> CIMatrixElement.De.t -> float =\n",
" <fun>\n"
]
},
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"execution_count": 8,
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"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val hf_ij :\n",
" MOBasis.t -> CIMatrixElement.De.t -> CIMatrixElement.De.t -> float list =\n",
" <fun>\n"
]
},
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"execution_count": 8,
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"metadata": {},
"output_type": "execute_result"
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}
],
"source": [
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"let cancel_singles = false \n",
"\n",
"let f12_integrals mo_basis =\n",
"\n",
" \n",
" let two_e_ints = MOBasis.f12_ints mo_basis in\n",
" let f2 i j k l s s' =\n",
" let ijkl = F12.get_phys two_e_ints i j k l in\n",
" let ijlk = F12.get_phys two_e_ints i j l k in\n",
" if s' <> s then\n",
" ijkl \n",
" else\n",
" (ijkl -. ijlk) \n",
" in\n",
" ( (fun _ _ _ -> 0.),\n",
" (if cancel_singles then\n",
" (fun i j k l s s' ->\n",
" (* Required to cancel out single excitations *)\n",
" if (i=k && j<>l) || (j=l && i<>k) then\n",
" 0.\n",
" else\n",
" f2 i j k l s s'\n",
" ) \n",
" else f2),\n",
" None\n",
" )\n",
"\n",
"let h_ij mo_basis ki kj =\n",
" let integrals =\n",
" List.map (fun f -> f mo_basis)\n",
" [ CI.h_integrals ]\n",
" in\n",
" CIMatrixElement.make integrals ki kj \n",
" |> List.hd\n",
"\n",
"\n",
"let f_ij mo_basis ki kj =\n",
" let integrals =\n",
" List.map (fun f -> f mo_basis)\n",
" [ f12_integrals ]\n",
" in\n",
" CIMatrixElement.make integrals ki kj \n",
" |> List.hd \n",
"\n",
"\n",
"let hf_ij mo_basis ki kj =\n",
" let integrals =\n",
" List.map (fun f -> f mo_basis)\n",
" [ CI.h_integrals ; f12_integrals ]\n",
" in\n",
" CIMatrixElement.make integrals ki kj\n",
"\n",
"\n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Determinant space"
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]
},
{
"cell_type": "code",
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"execution_count": 48,
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"metadata": {},
"outputs": [
{
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"data": {
"text/plain": [
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"val is_a_double : DeterminantSpace.t -> Determinant.t -> bool = <fun>\n"
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]
},
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"execution_count": 48,
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"metadata": {},
"output_type": "execute_result"
}
],
"source": [
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"let is_a_double det_space =\n",
" let mo_class = DeterminantSpace.mo_class det_space in\n",
" let mo_num = Array.length @@ MOClass.mo_class_array mo_class in\n",
" let m l =\n",
" List.fold_left (fun accu i ->\n",
" let j = i-1 in Bitstring.logor accu (Bitstring.shift_left_one mo_num j)\n",
" ) (Bitstring.zero mo_num) l\n",
" in\n",
" let aux_mask = m (MOClass.auxiliary_mos mo_class) in\n",
" fun k -> \n",
" let alfa =\n",
" Determinant.alfa k\n",
" |> Spindeterminant.bitstring\n",
" in\n",
" let beta =\n",
" Determinant.beta k\n",
" |> Spindeterminant.bitstring\n",
" in\n",
" let a = Bitstring.logand aux_mask alfa\n",
" and b = Bitstring.logand aux_mask beta\n",
" in\n",
" match Bitstring.popcount a + Bitstring.popcount b with\n",
" | 2 | 1 -> true\n",
" | 0 | _ -> false\n",
"\n"
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]
},
{
"cell_type": "code",
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"execution_count": 61,
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"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
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"val det_space_in : unit -> Determinant.t Stream.t = <fun>\n"
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]
},
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"execution_count": 61,
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"metadata": {},
"output_type": "execute_result"
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},
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{
"data": {
"text/plain": [
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"val det_space_out : unit -> (Determinant.t * Determinant.t) Stream.t = <fun>\n"
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]
},
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"execution_count": 61,
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"metadata": {},
"output_type": "execute_result"
}
],
"source": [
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"let det_space_in () =\n",
" DeterminantSpace.fci_of_mo_basis mo_basis ~frozen_core \n",
" |> DeterminantSpace.determinant_stream\n",
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"(*\n",
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" |> Util.stream_to_list\n",
" |> Array.of_list\n",
"*)\n",
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"\n",
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"let det_space_out () =\n",
" let s = \n",
" DeterminantSpace.fci_of_mo_basis aux_basis ~frozen_core\n",
" |> DeterminantSpace.determinant_stream\n",
" in\n",
" Stream.from (fun _ ->\n",
" try\n",
" let is_a_double = is_a_double ci.CI.det_space in\n",
" let rec result () =\n",
" let ki = Stream.next s in\n",
" if is_a_double ki then\n",
" Some (ki,ki)\n",
" else\n",
" result ()\n",
" in\n",
" result ()\n",
" with Stream.Failure -> None\n",
" )\n",
"(*\n",
" |> Util.stream_to_list\n",
" |> Array.of_list\n",
"*)\n",
" "
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]
},
{
"cell_type": "code",
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"execution_count": 62,
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"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
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"val ci : CI.t =\n",
" {CI.e_shift = -14.5667640335093935;\n",
" det_space =\n",
" [ 0\n",
" phase:+1\n",
" a:+1 ++--------------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
"\n",
" 1\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 2\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 3\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 4\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 5\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 6\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 7\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 8\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 9\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 10\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 11\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 12\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 13\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 14\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 15\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 16\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 17\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 18\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 19\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 20\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 21\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 22\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 23\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 24\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 25\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 26\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 27\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 28\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 29\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 30\n",
"phase:+1\n",
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"\n",
" 1275\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1276\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1277\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1278\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1279\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1280\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1281\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1282\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1283\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1284\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1285\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1286\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1287\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1288\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1289\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1290\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1291\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1292\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1293\n",
"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1294\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1295\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
" ]; m_H = <lazy>; m_S2 = <lazy>; eigensystem = <lazy>;\n",
"n_states = 1}\n"
]
},
"execution_count": 62,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val aux_ci : CI.t =\n",
" {CI.e_shift = -14.5667640335093935;\n",
" det_space =\n",
" [ 0\n",
" phase:+1\n",
" a:+1 ++--------------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
"\n",
" 1\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 2\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 3\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 4\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 5\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 6\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 7\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 8\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 9\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 10\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 11\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 12\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 13\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 14\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 15\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 16\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 17\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 18\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 20\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
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"\n",
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"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
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"\n",
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"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 28\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 29\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 31\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 32\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
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"\n",
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"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 35\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
"\n",
" 36\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 37\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 38\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 39\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 40\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 41\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 42\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 43\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 44\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 45\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 46\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 47\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 48\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 49\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 50\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 51\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 52\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 53\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 54\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 55\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 56\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 57\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 58\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 59\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 60\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 61\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 62\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 63\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
" 64\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 +-+-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 +--+------------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 78\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 82\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 83\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 84\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 85\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 86\n",
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"a:+1 ----++----------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 87\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 88\n",
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"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 92\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 93\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 94\n",
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"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 95\n",
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"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"a:+1 ---+---+--------------------------------------------------------\n",
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"\n",
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"\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 100\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 101\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 102\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 103\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
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"b:+1 -++-------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 106\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 107\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 -++-------------------------------------------------------------\n",
"\n",
" 108\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 109\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 110\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 111\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 112\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 113\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 114\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 115\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 116\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 117\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 118\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 119\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 120\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 121\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 122\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 123\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 124\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 125\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 126\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 127\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 128\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 129\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 130\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 131\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 132\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 133\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 134\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
" 135\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 +--+------------------------------------------------------------\n",
"\n",
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"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 -----+--+-------------------------------------------------------\n",
"\n",
" 1223\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 -----+--+-------------------------------------------------------\n",
"\n",
" 1224\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1225\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1226\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1227\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1228\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1229\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1230\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1231\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1232\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1233\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1234\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1235\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1236\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1237\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1238\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1239\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1240\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1241\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1242\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1243\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1244\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1245\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1246\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1247\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1248\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1249\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1250\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1251\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1252\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1253\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1254\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1255\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1256\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1257\n",
"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1258\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1259\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 ------+-+-------------------------------------------------------\n",
"\n",
" 1260\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1261\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1262\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1263\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1264\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1265\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1266\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1267\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1268\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1269\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1270\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1271\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1272\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1273\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1274\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1275\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1276\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1277\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1278\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1279\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1280\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1281\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1282\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1283\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1284\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1285\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1286\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1287\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1288\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1289\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1290\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1291\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1292\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1293\n",
"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1294\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
"\n",
" 1295\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 -------++-------------------------------------------------------\n",
" ]; m_H = <lazy>; m_S2 = <lazy>; eigensystem = <lazy>;\n",
"n_states = 1}\n"
]
},
"execution_count": 62,
"metadata": {},
"output_type": "execute_result"
},
{
"name": "stdout",
"output_type": "stream",
"text": [
" 1 0.0000000000 3.65952090e-01\n",
" 2 -0.0452489502 4.87297160e-02\n",
" 3 -0.0467469361 8.29041714e-03\n",
" 4 -0.0467803809 8.74238341e-04\n",
" 5 -0.0467812326 3.84287838e-05\n",
" 6 -0.0467812361 4.06295029e-06\n"
]
},
{
"data": {
"text/plain": [
"val ci_coef : Lacaml.D.Mat.t =\n",
" C1\n",
" R1 0.948649\n",
" R2 0\n",
" R3 0\n",
" ...\n",
" R1294 0\n",
" R1295 0\n",
" R1296 9.55064E-05\n",
"val ci_energy : Lacaml.D.Vec.t =\n",
" R1 R2 R3 R5 R6 R7\n",
" -14.6135 -14.181 -14.0303 ... -13.5633 -12.9511 -8.96937\n"
]
},
"execution_count": 62,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"let ci = CI.make ~n_states:state aux_space\n",
"let aux_ci = CI.make ~n_states:state aux_space\n",
"\n",
"let ci_coef, ci_energy = Lazy.force ci.eigensystem \n",
"\n"
]
},
{
"cell_type": "markdown",
"metadata": {},
2019-12-03 12:25:31 +01:00
"source": [
"Permutation operator $p_{12}$ that generates a new determinant with electrons 1 and 2 swapped."
]
},
{
"cell_type": "raw",
"metadata": {},
"source": [
"let p12 det_space =\n",
" let mo_class = DeterminantSpace.mo_class det_space in\n",
" let mo_num = Array.length @@ MOClass.mo_class_array mo_class in\n",
" let m l =\n",
" List.fold_left (fun accu i ->\n",
" let j = i-1 in Bitstring.logor accu (Bitstring.shift_left_one mo_num j)\n",
" ) (Bitstring.zero mo_num) l\n",
" in\n",
" let aux_mask = m (MOClass.auxiliary_mos mo_class) in\n",
" let not_aux_mask =\n",
" Bitstring.(shift_left_one mo_num (mo_num-1) |> minus_one |> logxor aux_mask)\n",
" in\n",
" fun k ->\n",
" let alfa =\n",
" Determinant.alfa k\n",
" |> Spindeterminant.bitstring\n",
" in\n",
" let beta =\n",
" Determinant.beta k\n",
" |> Spindeterminant.bitstring\n",
" in\n",
" let a = Bitstring.logand aux_mask alfa\n",
" and b = Bitstring.logand aux_mask beta\n",
" in\n",
" match Bitstring.popcount a, Bitstring.popcount b with\n",
" | 2, 0 \n",
" | 0, 2 -> Some (Determinant.negate_phase k)\n",
" | 1, 1 -> Some (Determinant.of_spindeterminants\n",
" (Spindeterminant.of_bitstring @@\n",
" Bitstring.(logor b (logand not_aux_mask alfa)) )\n",
" (Spindeterminant.of_bitstring @@\n",
" Bitstring.(logor a (logand not_aux_mask beta))\n",
" ) )\n",
" | 1, 0 \n",
" | 0, 1 -> Some k\n",
" | _ -> None\n",
" \n",
" \n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
2019-12-03 14:40:08 +01:00
"## Integral-based functions"
2019-12-03 12:25:31 +01:00
]
},
{
2019-12-03 14:40:08 +01:00
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
},
{
"cell_type": "markdown",
2019-12-03 12:25:31 +01:00
"metadata": {},
"source": [
2019-12-03 14:40:08 +01:00
"## Matrices $\\langle I | H | \\alpha \\rangle$ and $\\langle I | F | \\alpha \\rangle$ "
2019-12-03 12:25:31 +01:00
]
},
{
2019-12-03 14:40:08 +01:00
"cell_type": "code",
"execution_count": 71,
"metadata": {},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Number of determinants : 253 253 64009\n"
]
},
{
"data": {
"text/plain": [
"val det_list : (Determinant.t * Determinant.t) list =\n",
" [(phase:+1\n",
" a:+1 +--------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +--------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+-------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-----+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-----+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+----+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+----+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+---+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+---+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+--+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+--+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+-+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+-+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------++------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------++------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +---------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +---------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+--------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+--------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+-------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+-------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+-----+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+-----+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+----+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+----+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+---+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+---+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+--+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+--+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+-+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+-+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------++-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------++-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +----------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +----------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+---------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+---------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+--------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+--------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+-----+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+-----+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+----+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+----+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+---+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+---+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+--+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+--+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+-+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+-+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------++----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------++----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +-----------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +-----------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+----------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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");\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
"phase:+1\n",
"a:+1 ----------+-+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
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"b:+1 ++--------------------------------------------------------------\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-----------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
"phase:+1\n",
"a:+1 --+----------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+---------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+--------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+-------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
"phase:+1\n",
"a:+1 --------+----+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+-+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------++--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +-------------+-------------------------------------------------\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 -+------------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 --+-----------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+---------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
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",\n",
"phase:+1\n",
"a:+1 -----+--------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 ------+-------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+-----+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+----+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+---+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+---+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------+--+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+--+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------------+-+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------+-+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------------++-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------------++-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +--------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +--------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+-------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-----------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-----------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+----------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 -----+---------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+--------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+--------+------------------------------------------------\n",
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");\n",
"(phase:+1\n",
" a:+1 -------+-------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+-------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+------+------------------------------------------------\n",
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",\n",
"phase:+1\n",
"a:+1 --------+------+------------------------------------------------\n",
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");\n",
"(phase:+1\n",
" a:+1 ---------+-----+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+-----+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+----+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+----+------------------------------------------------\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
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"a:+1 ------------+--+------------------------------------------------\n",
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");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------------+-+------------------------------------------------\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 --------------++------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +---------------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +---------------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 ------+---------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
"a:+1 --------+-------+-----------------------------------------------\n",
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");\n",
"(phase:+1\n",
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",\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
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");\n",
"(phase:+1\n",
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",\n",
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");\n",
"(phase:+1\n",
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",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
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",\n",
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"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------------++-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
", ...);\n",
"...]\n"
]
},
"execution_count": 71,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val det_a : (Determinant.t * Determinant.t) array =\n",
" [|(phase:+1\n",
" a:+1 +--------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +--------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+-------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+------+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+------+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-----+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-----+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+----+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+----+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+---+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+---+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+--+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+--+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+-+------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+-+------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------++------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------++------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +---------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +---------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+--------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+--------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+-------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+-------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+------+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+------+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+-----+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+-----+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+----+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+----+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+---+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+---+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+--+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+--+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+-+-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+-+-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------++-----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------++-----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +----------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +----------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+---------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+---------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+--------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+--------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+------+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+------+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+-----+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+-----+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+----+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+----+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+---+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+---+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+--+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+--+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+-+----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+-+----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------++----------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------++----------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +-----------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +-----------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+----------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+----------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+---------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+---------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+--------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+--------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+-------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+-------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+------+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+------+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+-----+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+-----+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+----+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+----+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+---+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+---+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+--+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+--+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+-+---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+-+---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------++---------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------++---------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +------------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +------------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+-----------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-----------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+----------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+----------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+---------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+---------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+--------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+--------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+-------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+-------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+------+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+------+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+-----+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+-----+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+----+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+----+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+---+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+---+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+--+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+--+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------+-+--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+-+--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------------++--------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------++--------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +-------------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +-------------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+------------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+------------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+-----------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+-----------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+----------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+----------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+---------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+---------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+--------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+--------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+-------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+-------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+------+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+------+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+-----+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+-----+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+----+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+----+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+---+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+---+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------+--+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+--+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------------+-+-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------+-+-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------------++-------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------------++-------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +--------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +--------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+-------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+-------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+------------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+------------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+-----------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+-----------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+----------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+----------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+---------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+---------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+--------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+--------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+-------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+-------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+------+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+------+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+-----+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+-----+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+----+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+----+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------+---+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+---+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------------+--+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------+--+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------------+-+------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------------+-+------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------------++------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------------++------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 +---------------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 +---------------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -+--------------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -+--------------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --+-------------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --+-------------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---+------------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---+------------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----+-----------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----+-----------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----+----------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----+----------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------+---------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------+---------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------+--------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------+--------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------+-------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------+-------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------+------+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ---------+------+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ----------+-----+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ----------+-----+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -----------+----+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -----------+----+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ------------+---+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 ------------+---+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 -------------+--+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 -------------+--+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 --------------+-+-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
",\n",
"phase:+1\n",
"a:+1 --------------+-+-----------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
");\n",
"(phase:+1\n",
" a:+1 ---------------++-----------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
", ...);\n",
"...|]\n"
]
},
"execution_count": 71,
"metadata": {},
"output_type": "execute_result"
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"Number of determinants : 36 36 1296\n"
]
},
{
"data": {
"text/plain": [
"val det_I : Determinant.t array =\n",
" [|phase:+1\n",
" a:+1 ++--------------------------------------------------------------\n",
" b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -++-------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +--+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+---+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+--+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
"b:+1 ++--------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
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"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 --++------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 --++------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 --++------------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
"a:+1 ---+-+----------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-----+---------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+----+---------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 --+---+---------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+--+---------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 ----+-+---------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -----++---------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +------+--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+-----+--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+----+--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---+---+--------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 ----+--+--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -----+-+--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ------++--------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-------+-------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+------+-------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 --+-----+-------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 ---+----+-------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ----+---+-------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 -----+--+-------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
"b:+1 +---+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
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";\n",
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";\n",
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";\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
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";\n",
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";\n",
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";\n",
"phase:+1\n",
"a:+1 ----++----------------------------------------------------------\n",
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";\n",
"phase:+1\n",
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";\n",
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";\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
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";\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
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";\n",
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";\n",
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";\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
"a:+1 ------+-+-------------------------------------------------------\n",
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";\n",
"phase:+1\n",
"a:+1 -------++-------------------------------------------------------\n",
"b:+1 -+--+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ++--------------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +-+-------------------------------------------------------------\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
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";\n",
"phase:+1\n",
"a:+1 -+-+------------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --++------------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +---+-----------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 -+--+-----------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 --+-+-----------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 ---++-----------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"phase:+1\n",
"a:+1 +----+----------------------------------------------------------\n",
"b:+1 --+-+-----------------------------------------------------------\n",
";\n",
"...|]\n"
]
},
"execution_count": 71,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"val m_H_aux : Lacaml.D.mat =\n",
" C1 C2 C3 C31498 C31499 C31500\n",
" R1 5.62223E-16 -8.12115E-16 -0 ... 0 0 0\n",
" R2 -1.18969E-16 -0 -0.00193461 ... 0 0 0\n",
" R3 -0 -1.45984E-15 -0.0141748 ... 0 0 0\n",
" ... ... ... ... ... ... ...\n",
" R1294 0 0 0 ... -0.00263572 0 0\n",
" R1295 0 0 0 ... 0 -0.00263572 0\n",
" R1296 0 0 0 ... 0 0 -0.00263572\n",
"val m_F_aux : Lacaml.D.mat =\n",
" C1 C2 C3 C31498 C31499 C31500\n",
" R1 0 -0 -0 ... 0 0 0\n",
" R2 0 -0 0.000455272 ... 0 0 0\n",
" R3 -0 0 0.00241097 ... 0 0 0\n",
" ... ... ... ... ... ... ...\n",
" R1294 0 0 0 ... 0.00072775 0 0\n",
" R1295 0 0 0 ... 0 0.00072775 0\n",
" R1296 0 0 0 ... 0 0 0.00072775\n"
]
},
"execution_count": 71,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"let det_list =\n",
" Util.stream_to_list (det_space_out ())\n",
" \n",
"let det_a = Array.of_list det_list\n",
"\n",
"let det_I =\n",
" Util.stream_to_list @@ det_space_in ()\n",
" |> Array.of_list\n",
"\n",
"let m_H_aux, m_F_aux = \n",
" \n",
" let rec col_vecs_list accu_H accu_F = function\n",
" | [] -> \n",
" List.rev accu_H, \n",
" List.rev accu_F \n",
" | (ki, ki') :: rest when ki = ki' ->\n",
" begin\n",
" let h, f = \n",
" List.map (fun kj ->\n",
" match hf_ij aux_basis kj ki with\n",
" | [ a ; b ] -> a, b\n",
" | _ -> assert false ) in_dets\n",
" |> List.split\n",
" in\n",
" let h = Vec.of_list h in\n",
" let f = Vec.of_list f in\n",
" scal 0.5 f; (* Specific top He singlet *)\n",
" col_vecs_list (h::accu_H) (f::accu_F) rest\n",
" end\n",
" | (ki, ki') :: rest ->\n",
" begin\n",
" assert false;\n",
" end\n",
" in\n",
" let h, f = \n",
" col_vecs_list [] [] det_list\n",
" in\n",
" Mat.of_col_vecs_list h,\n",
" Mat.of_col_vecs_list f\n",
" \n"
]
},
{
"cell_type": "code",
"execution_count": 72,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"- : float = 0.\n"
]
},
"execution_count": 72,
"metadata": {},
"output_type": "execute_result"
}
],
"source": []
},
{
"cell_type": "code",
"execution_count": 73,
2019-12-03 12:25:31 +01:00
"metadata": {},
2019-12-03 14:40:08 +01:00
"outputs": [
{
"data": {
"text/plain": [
"- : int = 1296\n"
]
},
"execution_count": 73,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"- : int = 31500\n"
]
},
"execution_count": 73,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"- : int = 1296\n"
]
},
"execution_count": 73,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"text/plain": [
"- : int = 31500\n"
]
},
"execution_count": 73,
"metadata": {},
"output_type": "execute_result"
}
],
2019-12-03 12:25:31 +01:00
"source": [
2019-12-03 14:40:08 +01:00
"Mat.dim1 m_H_aux ;;\n",
"Mat.dim2 m_H_aux ;;\n",
"Mat.dim1 m_F_aux ;;\n",
"Mat.dim2 m_F_aux ;;"
2019-11-30 10:41:07 +01:00
]
2019-12-02 14:58:48 +01:00
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
2019-11-30 10:41:07 +01:00
}
],
"metadata": {
"kernelspec": {
2019-12-03 12:25:31 +01:00
"display_name": "OCaml 4.07.1",
2019-11-30 10:41:07 +01:00
"language": "OCaml",
"name": "ocaml-jupyter"
},
"language_info": {
"codemirror_mode": "text/x-ocaml",
"file_extension": ".ml",
"mimetype": "text/x-ocaml",
"name": "OCaml",
"nbconverter_exporter": null,
"pygments_lexer": "OCaml",
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