hfx_pair_list_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	hfx_pair_list_methods
	Routines for optimizing load balance between processes in HFX calculations.

Functions/Subroutines
subroutine, public	hfx_pair_list_methods::build_pgf_product_list (list1, list2, product_list, nproducts, log10_pmax, log10_eps_schwarz, neighbor_cells, cell, potential_parameter, m_max, do_periodic)
	... More...
subroutine, public	hfx_pair_list_methods::build_pair_list_pgf (npgfa, npgfb, list, zeta, zetb, screen1, screen2, pgf, R_pgf, log10_pmax, log10_eps_schwarz, ra, rb, nelements, neighbor_cells, nimages, do_periodic)
	... More...
subroutine, public	hfx_pair_list_methods::build_pair_list (natom, list, set_list, i_start, i_end, j_start, j_end, kind_of, basis_parameter, particle_set, do_periodic, coeffs_set, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, pmax_blocks, atomic_pair_list)
	... More...
subroutine, public	hfx_pair_list_methods::build_atomic_pair_list (natom, atomic_pair_list, kind_of, basis_parameter, particle_set, do_periodic, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, blocks)
	... More...
subroutine, public	hfx_pair_list_methods::build_pair_list_mp2 (natom, list, set_list, i_start, i_end, j_start, j_end, kind_of, basis_parameter, particle_set, do_periodic, coeffs_set, coeffs_kind, coeffs_kind_max0, log10_eps_schwarz, cell, pmax_blocks, atomic_pair_list, skip_atom_symmetry)
	... More...

Variables
integer, save, public	hfx_pair_list_methods::pgf_product_list_size = 128