TREX/qmckl
1
0
Fork 0
mirror of https://github.com/TREX-CoE/qmckl.git synced 2025-01-03 10:06:09 +01:00
Code Issues Projects Releases Wiki Activity

Renaming *ord_v* in Jastrow

Browse Source
This commit is contained in:
Anthony Scemama 2022-11-16 11:58:44 +01:00
parent e66950bbea
commit 841e756420
2 changed files with 471 additions and 474 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

933
org/qmckl_jastrow.org
View File

File diff suppressed because it is too large Load Diff

12
org/qmckl_tests.org
View File

@ -60111,13 +60111,13 @@ double n2_elec_coord[n2_walk_num][n2_elec_num][3] = { {
#define n2_aord_num ((int64_t) 5) #define n2_aord_num ((int64_t) 5)
#define n2_bord_num ((int64_t) 5) #define n2_bord_num ((int64_t) 5)
#define n2_cord_num ((int64_t) 5) #define n2_cord_num ((int64_t) 5)
#define n2_dim_cord_vec ((int64_t) 23) #define n2_dim_c_vec ((int64_t) 23)
int64_t n2_type_nucl_vector[n2_nucl_num] = { int64_t n2_type_nucl_vector[n2_nucl_num] = {
1, 1,
1}; 1};
double n2_aord_vector[n2_aord_num + 1][n2_type_nucl_num] = { double n2_a_vector[n2_aord_num + 1][n2_type_nucl_num] = {
{ 0. }, { 0. },
{ 0. }, { 0. },
{-0.380512}, {-0.380512},
@ -60125,7 +60125,7 @@ double n2_aord_vector[n2_aord_num + 1][n2_type_nucl_num] = {
{-0.031558}, {-0.031558},
{ 0.021512}}; { 0.021512}};
double n2_bord_vector[n2_bord_num + 1] = { double n2_b_vector[n2_bord_num + 1] = {
0.5 , 0.5 ,
0.15366 , 0.15366 ,
0.0672262 , 0.0672262 ,
@ -60133,7 +60133,7 @@ double n2_bord_vector[n2_bord_num + 1] = {
0.0073096 , 0.0073096 ,
0.002866 }; 0.002866 };
double n2_cord_vector[n2_dim_cord_vec][n2_type_nucl_num] = { double n2_c_vector[n2_dim_c_vec][n2_type_nucl_num] = {
{ 5.717020e-01}, { 5.717020e-01},
{-5.142530e-01}, {-5.142530e-01},
{-5.130430e-01}, {-5.130430e-01},
@ -60158,7 +60158,7 @@ double n2_cord_vector[n2_dim_cord_vec][n2_type_nucl_num] = {
{-4.010475e-02}, {-4.010475e-02},
{ 6.106710e-03}}; { 6.106710e-03}};
double n2_cord_vector_full[n2_dim_cord_vec][n2_nucl_num] = { double n2_c_vector_full[n2_dim_c_vec][n2_nucl_num] = {
{ 5.717020e-01, 5.717020e-01}, { 5.717020e-01, 5.717020e-01},
{-5.142530e-01, -5.142530e-01}, {-5.142530e-01, -5.142530e-01},
{-5.130430e-01, -5.130430e-01}, {-5.130430e-01, -5.130430e-01},
@ -60183,7 +60183,7 @@ double n2_cord_vector_full[n2_dim_cord_vec][n2_nucl_num] = {
{-4.010475e-02, -4.010475e-02}, {-4.010475e-02, -4.010475e-02},
{ 6.106710e-03, 6.106710e-03}}; { 6.106710e-03, 6.106710e-03}};
double n2_lkpm_of_cindex[4][n2_dim_cord_vec] = { double n2_lkpm_of_cindex[4][n2_dim_c_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, 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}, {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}, {4, 1, 0, 0, 4, 2, 1, 4, 5, 0, 2, 3, 5, 0, 0, 3, 5, 1, 3, 2, 5, 0, 1},