#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) 2) 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}},{ {-0.108090166832043 , 0.189161729653261 , 2.15398313919894}, { 1.09360863531826 , -2.036103063808752E-003 , -2.702796910818986E-002}, {-0.232271834949124 , -1.059321673434182E-002 , -0.504862241464867}, {-0.127732483187947 , -0.138975497694196 , -8.669850480215846E-002}, { 0.766647499681200 , -0.293515395797937 , 3.66454589201239 }, {-4.901239896295210E-003 , -1.120440036458986E-002 , 1.99761909330422 }, { 1.61335569047166 , -0.615556732874863 , -1.43165470979934 }, {-0.587812193472177 , -0.128751981129274 , 0.187773606533075}, {-0.250655104764153 , 0.503070975550133 , -0.166554344502303}, { 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) 5) #define n2_dim_c_vec ((int64_t) 23) int64_t n2_type_nucl_vector[n2_nucl_num] = { 0, 0}; double n2_a_vector[n2_aord_num + 1][n2_type_nucl_num] = { { 0. }, { 0. }, {-0.380512}, {-0.157996}, {-0.031558}, { 0.021512}}; double n2_b_vector[n2_bord_num + 1] = { 0.5 , 0.15366 , 0.0672262 , 0.02157 , 0.0073096 , 0.002866 }; double n2_c_vector[n2_dim_c_vec][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_c_vector_full[n2_dim_c_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_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, 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}};