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, potential, ri_metric, fm_matrix_L_kpoints, fm_matrix_Minv_L_kpoints, 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)
	... More...
subroutine, public	mp2_ri_2c::ri_2c_integral_mat (qs_env, fm_matrix_Minv_L_kpoints, fm_matrix_L, dimen_RI, ri_metric, do_kpoints, kpoints, put_mat_KS_env, regularization_RI, ikp_ext)
	... More...
subroutine, public	mp2_ri_2c::inversion_of_m_and_mult_with_chol_dec_of_v (fm_matrix_Minv_L_kpoints, fm_matrix_L_kpoints, dimen_RI, kpoints, eps_eigval_S)
	... More...
subroutine, public	mp2_ri_2c::setup_trunc_coulomb_pot_for_exchange_self_energy (qs_env, trunc_coulomb, rel_cutoff_trunc_coulomb_ri_x)
	... More...