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Removed n2.h file. #22

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vijay gopal chilkuri 2021-07-06 20:46:47 +05:30
parent a94c6a598a
commit 0151c441bc
1 changed files with 0 additions and 109 deletions
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109
tests/n2.h
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@ -1,109 +0,0 @@
#define n2_nucl_num ((int64_t) 2)
double n2_charge[n2_nucl_num] = { 5., 5.};
double n2_nucl_coord[3][n2_nucl_num] =
{ {0.000000, 0.000000 },
{0.000000, 0.000000 },
{0.000000, 2.059801 } };
#define n2_elec_up_num ((int64_t) 5)
#define n2_elec_dn_num ((int64_t) 5)
#define n2_elec_num ((int64_t) 10)
#define n2_walk_num ((int64_t) 1)
double n2_elec_coord[n2_walk_num][n2_elec_num][3] = { {
{-0.250655104764153 , 0.503070975550133 , -0.166554344502303},
{-0.587812193472177 , -0.128751981129274 , 0.187773606533075},
{ 1.61335569047166 , -0.615556732874863 , -1.43165470979934 },
{-4.901239896295210E-003 , -1.120440036458986E-002 , 1.99761909330422 },
{ 0.766647499681200 , -0.293515395797937 , 3.66454589201239 },
{-0.127732483187947 , -0.138975497694196 , -8.669850480215846E-002},
{-0.232271834949124 , -1.059321673434182E-002 , -0.504862241464867},
{ 1.09360863531826 , -2.036103063808752E-003 , -2.702796910818986E-002},
{-0.108090166832043 , 0.189161729653261 , 2.15398313919894},
{ 0.397978144318712 , -0.254277292595981 , 2.54553335476344}}};
/* Jastrow related */
#define n2_type_nucl_num ((int64_t) 1)
#define n2_aord_num ((int64_t) 5)
#define n2_bord_num ((int64_t) 5)
#define n2_cord_num ((int64_t) 23)
#define n2_dim_cord_vec ((int64_t) 23)
int64_t n2_type_nucl_vector[n2_nucl_num] = {
1,
1};
double n2_aord_vector[n2_aord_num + 1][n2_type_nucl_num] = {
{ 0. },
{ 0. },
{-0.380512},
{-0.157996},
{-0.031558},
{ 0.021512}};
double n2_bord_vector[n2_bord_num + 1] = {
0.5 ,
0.15366 ,
0.0672262 ,
0.02157 ,
0.0073096 ,
0.002866 };
double n2_cord_vector[n2_cord_num][n2_type_nucl_num] = {
{ 5.717020e-01},
{-5.142530e-01},
{-5.130430e-01},
{ 9.486000e-03},
{-4.205000e-03},
{ 4.263258e-01},
{ 8.288150e-02},
{ 5.118600e-03},
{-2.997800e-03},
{-5.270400e-03},
{-7.500000e-05},
{-8.301650e-02},
{ 1.454340e-02},
{ 5.143510e-02},
{ 9.250000e-04},
{-4.099100e-03},
{ 4.327600e-03},
{-1.654470e-03},
{ 2.614000e-03},
{-1.477000e-03},
{-1.137000e-03},
{-4.010475e-02},
{ 6.106710e-03}};
double n2_cord_vector_full[n2_dim_cord_vec][n2_nucl_num] = {
{ 5.717020e-01, 5.717020e-01},
{-5.142530e-01, -5.142530e-01},
{-5.130430e-01, -5.130430e-01},
{ 9.486000e-03, 9.486000e-03},
{-4.205000e-03, -4.205000e-03},
{ 4.263258e-01, 4.263258e-01},
{ 8.288150e-02, 8.288150e-02},
{ 5.118600e-03, 5.118600e-03},
{-2.997800e-03, -2.997800e-03},
{-5.270400e-03, -5.270400e-03},
{-7.500000e-05, -7.500000e-05},
{-8.301650e-02, -8.301650e-02},
{ 1.454340e-02, 1.454340e-02},
{ 5.143510e-02, 5.143510e-02},
{ 9.250000e-04, 9.250000e-04},
{-4.099100e-03, -4.099100e-03},
{ 4.327600e-03, 4.327600e-03},
{-1.654470e-03, -1.654470e-03},
{ 2.614000e-03, 2.614000e-03},
{-1.477000e-03, -1.477000e-03},
{-1.137000e-03, -1.137000e-03},
{-4.010475e-02, -4.010475e-02},
{ 6.106710e-03, 6.106710e-03}};
double n2_lkpm_of_cindex[4][n2_dim_cord_vec] = {
{1, 1, 2, 0, 0, 0, 2, 1, 1, 2, 3, 0, 2, 1, 3, 0, 0, 1, 3, 1, 1, 0, 3},
{1, 1, 3, 4, 0, 2, 2, 4, 0, 0, 2, 4, 1, 3, 1, 4, 0, 1, 1, 4, 1, 2, 0},
{4, 1, 0, 0, 4, 2, 1, 4, 5, 0, 2, 3, 5, 0, 0, 3, 5, 1, 3, 2, 5, 0, 1},
{2, 5, 1, 4, 1, 5, 0, 2, 1, 5, 1, 0, 1, 5, 2, 3, 0, 5, 1, 1, 0, 5, 2}};