qs_tddfpt2_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_tddfpt2_types::tddfpt_ground_state_mos
	Ground state molecular orbitals. More...
type	qs_tddfpt2_types::tddfpt_work_matrices
	Set of temporary ("work") matrices. More...

Modules
module	qs_tddfpt2_types

Functions/Subroutines
subroutine, public	qs_tddfpt2_types::tddfpt_create_work_matrices (work_matrices, gs_mos, nstates, do_hfx, do_admm, do_hfxlr, do_exck, do_sf, qs_env, sub_env)
	Allocate work matrices for full kernel.
subroutine, public	qs_tddfpt2_types::hfxsr_create_work_matrices (work_matrices, qs_env, admm_env)
	Allocate work matrices for hfxsr.
subroutine, public	qs_tddfpt2_types::stda_create_work_matrices (work_matrices, gs_mos, nstates, qs_env, sub_env)
	Allocate work matrices for sTDA kernel.
subroutine, public	qs_tddfpt2_types::tddfpt_release_work_matrices (work_matrices, sub_env)
	Release work matrices.