qs_tddfpt2_smearing_methods.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_tddfpt2_smearing_methods

Functions/Subroutines
subroutine, public	qs_tddfpt2_smearing_methods::tddfpt_smeared_occupation (qs_env, gs_mos, log_unit)
	...
subroutine, public	qs_tddfpt2_smearing_methods::add_smearing_aterm (qs_env, aop_evects, evects, s_evects, mos_occ, fermia, matrix_s)
	...
subroutine, public	qs_tddfpt2_smearing_methods::compute_fermib (qs_env, gs_mos, evals)
	...
subroutine, public	qs_tddfpt2_smearing_methods::deallocate_fermi_params (smeared_occup)
	...
subroutine, public	qs_tddfpt2_smearing_methods::orthogonalize_smeared_occupation (evects, qs_env, mos_occ, s_c0)
	...