qs_fb_filter_matrix_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_fb_filter_matrix_methods

Functions/Subroutines
subroutine, public	qs_fb_filter_matrix_methods::fb_fltrmat_build (h_mat, s_mat, atomic_halos, trial_fns, para_env, particle_set, fermi_level, filter_temp, name, filter_mat, tolerance)
	Build the filter matrix, with MPI communications happening at each step. Less efficient on communication, but more efficient on memory usage (compared to fb_fltrmat_build_2)
subroutine, public	qs_fb_filter_matrix_methods::fb_fltrmat_build_2 (h_mat, s_mat, atomic_halos, trial_fns, para_env, particle_set, fermi_level, filter_temp, name, filter_mat, tolerance)
	Build the filter matrix, with MPI communications grouped together. More effcient on communication, less efficient on memory (compared to fb_fltrmat_build)