rdm_reading Module

Contents

Subroutines

read_1rdm read_2rdm_popsfile read_spinfree_2rdm_files print_1rdms_from_2rdms_wrapper print_1rdms_from_sf2rdms_wrapper

Subroutines

public subroutine read_1rdm(rdm_defs, one_rdm, irdm)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
type(one_rdm_t),	intent(inout)			::	one_rdm
integer,	intent(in)			::	irdm

public subroutine read_2rdm_popsfile(rdm, spawn)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm
type(rdm_spawn_t),	intent(inout)			::	spawn

public subroutine read_spinfree_2rdm_files(rdm_defs, rdm, spawn)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
type(rdm_list_t),	intent(inout)			::	rdm
type(rdm_spawn_t),	intent(inout)			::	spawn

public subroutine print_1rdms_from_2rdms_wrapper(rdm_defs, one_rdms, two_rdms, open_shell)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
type(one_rdm_t),	intent(inout)			::	one_rdms(:)
type(rdm_list_t),	intent(in)			::	two_rdms
logical,	intent(in)			::	open_shell

public subroutine print_1rdms_from_sf2rdms_wrapper(rdm_defs, one_rdms, two_rdms)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
type(one_rdm_t),	intent(inout)			::	one_rdms(:)
type(rdm_list_t),	intent(in)			::	two_rdms