ergo
|
#include <basisinfo.h>
Public Attributes | |
ergo_real | coeff |
Coefficient A. | |
ergo_real | exponent |
exponent alfa | |
ergo_real | extent |
ergo_real | centerCoords [3] |
x0, y0, z0 | |
char | monomialInts [4] |
nx, ny, nz |
x0, y0, z0
Referenced by get_simple_primitives(), get_distribution_box(), compute_integral_over_box(), BuildRhoTreeBranch(), do_interaction_recursive(), compare_distrs(), do_1e_repulsion_integral_using_symb_info_h(), create_branches(), execute_joblist_J_fmm_shared(), compute_J_by_boxes_linear(), compute_K_by_boxes(), do_2e_integral_using_symb_info_h(), get_product_simple_prims(), compute_multipole_moments(), compute_operator_matrix_sparse(), and organize_distributions().
Coefficient A.
Referenced by get_simple_primitives(), get_distribution_box(), compute_integral_over_box(), BuildRhoTree(), get_product_distrs(), get_density(), compute_extent_for_all_basis_funcs_core(), compute_extent_for_all_basis_funcs_1el(), ExponentList::get_list_of_available_exponents(), do_derivative_of_simple_prim(), simplePrimTintegral(), do_interaction_recursive(), get_list_of_distrs_for_V(), do_1e_repulsion_integral_using_symb_info_h(), execute_joblist_J_fmm_shared(), compute_J_by_boxes_linear(), compute_K_by_boxes(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), get_product_simple_prims(), compute_integral_of_simple_prim(), get_max_basis_func_abs_value(), get_basis_func_extent_list(), compute_multipole_moments(), compute_operator_matrix_sparse(), and get_no_of_primitives_for_density().
exponent alfa
Referenced by get_simple_primitives(), get_distribution_box(), compute_integral_over_box(), BuildRhoTree(), do_merge_sort_distrs(), compute_extent_for_all_basis_funcs_core(), compute_extent_for_all_basis_funcs_1el(), ExponentList::get_list_of_available_exponents(), do_derivative_of_simple_prim(), do_interaction_recursive(), get_list_of_distrs_for_V(), compare_distrs(), compute_V_linear(), do_1e_repulsion_integral_using_symb_info_h(), execute_joblist_J_fmm_shared(), compute_J_by_boxes_linear(), compute_K_by_boxes(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), get_product_simple_prims(), compute_integral_of_simple_prim(), get_basis_func_extent_list(), and organize_distributions().
nx, ny, nz
Referenced by compute_integral_over_box(), do_merge_sort_distrs(), do_derivative_of_simple_prim(), do_interaction_recursive(), do_1e_repulsion_integral_using_symb_info_h(), execute_joblist_J_fmm_shared(), compute_J_by_boxes_linear(), compute_K_by_boxes(), IntegratorWithMemory::do_2e_integral(), do_2e_integral_using_symb_info_h(), get_product_simple_prims(), compute_integral_of_simple_prim(), get_largest_simple_integral(), compute_multipole_moments(), compute_operator_matrix_sparse(), and organize_distributions().