mp2_ri_2c.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	mp2_ri_2c
	Framework for 2c-integrals for RI.

Functions/Subroutines
subroutine, public	mp2_ri_2c::get_2c_integrals (qs_env, eri_method, eri_param, para_env, para_env_sub, mp2_memory, my_lrows, my_vrows, fm_matrix_pq, ngroup, color_sub, dimen_ri, dimen_ri_red, kpoints, my_group_l_size, my_group_l_start, my_group_l_end, gd_array, calc_pq_cond_num, do_svd, eps_svd, potential, ri_metric, cfm_matrix_l_kpoints, cfm_matrix_minv_l_kpoints, fm_matrix_minv_l_gamma, fm_matrix_minv, fm_matrix_minv_vtrunc_minv, do_im_time, do_kpoints, mp2_eps_pgf_orb_s, qs_kind_set, sab_orb_sub, calc_forces, unit_nr)
	...
subroutine, public	mp2_ri_2c::ri_2c_integral_mat (qs_env, fm_matrix_minv_l_gamma, fm_matrix_l_struct, dimen_ri, ri_metric, put_mat_ks_env, regularization_ri)
	...
subroutine, public	mp2_ri_2c::ri_2c_integral_mat_kp (qs_env, cfm_matrix_m_kpoints, fm_matrix_struct, dimen_ri, ri_metric, kpoints, put_mat_ks_env, regularization_ri, ikp_ext, do_build_cell_index)
	Computes the complex k-point RI metric as native CFM matrices.
subroutine, public	mp2_ri_2c::inversion_of_m_and_mult_with_chol_dec_of_v (cfm_matrix_m_kpoints, cfm_matrix_l_kpoints, cfm_matrix_minv_l_kpoints, dimen_ri, kpoints, eps_eigval_s)
	...
subroutine, public	mp2_ri_2c::trunc_coulomb_for_exchange (qs_env, trunc_coulomb, rel_cutoff_trunc_coulomb_ri_x, cell_grid, do_bvk_cell)
	...