eri_mme_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	eri_mme_types::eri_mme_param

Modules
module	eri_mme_types
	Types and initialization / release routines for Minimax-Ewald method for electron repulsion integrals.

Functions/Subroutines
subroutine, public	eri_mme_types::eri_mme_init (param, n_minimax, cutoff, do_calib_cutoff, do_error_est, cutoff_min, cutoff_max, cutoff_eps, cutoff_delta, sum_precision, debug, debug_delta, debug_nsum, unit_nr, print_calib)
	...
subroutine, public	eri_mme_types::eri_mme_set_params (param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, potential, pot_par)
	Set parameters for MME method with manual specification of basis parameters. Takes care of cutoff calibration if requested.
subroutine, public	eri_mme_types::eri_mme_set_potential (param, potential, pot_par)
	...
subroutine, public	eri_mme_types::get_minimax_from_cutoff (grids, cutoff, n_minimax, minimax_aw, grid_no)
	...
subroutine, public	eri_mme_types::eri_mme_print_grid_info (grid, grid_no, unit_nr)
	...
subroutine, public	eri_mme_types::eri_mme_release (param)
	...

Variables
integer, parameter, public	eri_mme_types::n_minimax_max = 53