mp2_integrals.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	mp2_integrals
	Routines to calculate and distribute 2c- and 3c- integrals for RI.

Functions/Subroutines
subroutine, public	mp2_integrals::mp2_ri_gpw_compute_in (BIb_C, BIb_C_gw, BIb_C_bse_ij, BIb_C_bse_ab, gd_array, gd_B_virtual, dimen_RI, dimen_RI_red, qs_env, para_env, para_env_sub, color_sub, cell, particle_set, atomic_kind_set, qs_kind_set, mo_coeff, fm_matrix_PQ, fm_matrix_L_kpoints, fm_matrix_Minv_L_kpoints, fm_matrix_Minv, fm_matrix_Minv_Vtrunc_Minv, nmo, homo, mat_munu, sab_orb_sub, mo_coeff_o, mo_coeff_v, mo_coeff_all, mo_coeff_gw, eps_filter, unit_nr, mp2_memory, calc_PQ_cond_num, calc_forces, blacs_env_sub, my_do_gw, do_bse, gd_B_all, starts_array_mc, ends_array_mc, starts_array_mc_block, ends_array_mc_block, gw_corr_lev_occ, gw_corr_lev_virt, do_im_time, do_kpoints_cubic_RPA, kpoints, t_3c_M, t_3c_O, t_3c_O_compressed, t_3c_O_ind, ri_metric, gd_B_occ_bse, gd_B_virt_bse)
	with ri mp2 gpw More...
subroutine, public	mp2_integrals::compute_kpoints (qs_env, kpoints, unit_nr)
	... More...