rpa_im_time.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	rpa_im_time
	Routines for low-scaling RPA/GW with imaginary time.

Functions/Subroutines
subroutine, public	rpa_im_time::compute_mat_p_omega (mat_p_omega, fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_p_global, matrix_s, ispin, t_3c_m, t_3c_o, t_3c_o_compressed, t_3c_o_ind, starts_array_mc, ends_array_mc, starts_array_mc_block, ends_array_mc_block, weights_cos_tf_t_to_w, tj, tau_tj, e_fermi, eps_filter, alpha, eps_filter_im_time, eigenval, nmo, num_integ_points, cut_memory, unit_nr, mp2_env, para_env, qs_env, do_kpoints_from_gamma, index_to_cell_3c, cell_to_index_3c, has_mat_p_blocks, do_ri_sos_laplace_mp2, dbcsr_time, dbcsr_nflop)
	...
subroutine, public	rpa_im_time::zero_mat_p_omega (mat_p_omega)
	...
subroutine, public	rpa_im_time::compute_mat_dm_global (fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, tau_tj, num_integ_points, nmo, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_dm_occ_global, mat_dm_virt_global, matrix_s, ispin, eigenval, e_fermi, eps_filter, memory_info, unit_nr, jquad, do_kpoints_cubic_rpa, do_kpoints_from_gamma, qs_env, num_cells_dm, index_to_cell_dm, para_env)
	...
subroutine, public	rpa_im_time::compute_transl_dm (mat_dm_global, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, eps_filter, num_cells_dm, index_to_cell_dm, remove_occ, remove_virt, first_jquad)
	...
subroutine, public	rpa_im_time::compute_periodic_dm (mat_dm_global, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, remove_occ, remove_virt, alloc_dm)
	...
subroutine, public	rpa_im_time::init_cell_index_rpa (cell_grid, cell_to_index, index_to_cell, cell)
	...