rdm_general Module

Uses

- MemoryManager
- FciMCData
- constants
- bit_rep_data
- rdm_reading
- util_mod
- SystemData
- CalcData
- Parallel_neci
- rdm_data
- bit_reps

Contents

Functions

getRDMCorrectionTerm avFFunc dressedFactor

Subroutines

init_rdms SetUpSymLabels_RDM realloc_SpawnedParts dealloc_global_rdm_data extract_bit_rep_avsign_no_rdm extract_bit_rep_avsign_norm UpdateRDMCorrectionTerm SumCorrectionContrib calc_rdmbiasfac store_parent_with_spawned

Functions

public function getRDMCorrectionTerm(DetSgn, DetPosition) result(rdmC)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	DetSgn(lenof_sign)
integer,	intent(in)			::	DetPosition

Return Value real(kind=dp)

public function avFFunc(DetSgn, DetPosition) result(AvFmu)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	DetSgn(lenof_sign)
integer,	intent(in)			::	DetPosition

Return Value real(kind=dp)

public function dressedFactor(fmu) result(fmup)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	fmu

Return Value real(kind=dp)

Subroutines

public subroutine init_rdms(nrdms_standard, nrdms_transition)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nrdms_standard
integer,	intent(in)			::	nrdms_transition

public subroutine SetUpSymLabels_RDM()

Arguments

None

public subroutine realloc_SpawnedParts()

Arguments

None

public subroutine dealloc_global_rdm_data()

Arguments

None

public subroutine extract_bit_rep_avsign_no_rdm(rdm_defs, iLutnI, j, nI, SignI, FlagsI, IterRDMStartI, AvSignI, store)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
integer(kind=n_int),	intent(in)			::	iLutnI(0:nIfTot)
integer,	intent(in)			::	j
integer,	intent(out)			::	nI(nel)
real(kind=dp),	intent(out)			::	SignI(lenof_sign)
integer,	intent(out)			::	FlagsI
real(kind=dp),	intent(out)			::	IterRDMStartI(len_iter_occ_tot)
real(kind=dp),	intent(out)			::	AvSignI(len_av_sgn_tot)
type(excit_gen_store_type),	intent(inout),	optional		::	store

public subroutine extract_bit_rep_avsign_norm(rdm_defs, iLutnI, j, nI, SignI, FlagsI, IterRDMStartI, AvSignI, store)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
integer(kind=n_int),	intent(in)			::	iLutnI(0:nIfTot)
integer,	intent(in)			::	j
integer,	intent(out)			::	nI(nel)
real(kind=dp),	intent(out)			::	SignI(lenof_sign)
integer,	intent(out)			::	FlagsI
real(kind=dp),	intent(out)			::	IterRDMStartI(len_iter_occ_tot)
real(kind=dp),	intent(out)			::	AvSignI(len_av_sgn_tot)
type(excit_gen_store_type),	intent(inout),	optional		::	store

public subroutine UpdateRDMCorrectionTerm()

Arguments

None

public subroutine SumCorrectionContrib(DetSgn, DetPosition)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	DetSgn(lenof_sign)
integer,	intent(in)			::	DetPosition

public subroutine calc_rdmbiasfac(p_spawn_rdmfac, p_gen, SignCurr, RDMBiasFacCurr)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	p_spawn_rdmfac
real(kind=dp),	intent(in)			::	p_gen
real(kind=dp),	intent(in)			::	SignCurr
real(kind=dp),	intent(out)			::	RDMBiasFacCurr

public subroutine store_parent_with_spawned(RDMBiasFacCurr, WalkerNumber, iLutI, DetSpawningAttempts, iLutJ, procJ)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	RDMBiasFacCurr
integer,	intent(in)			::	WalkerNumber
integer(kind=n_int),	intent(in)			::	iLutI(0:niftot)
integer,	intent(in)			::	DetSpawningAttempts
integer(kind=n_int),	intent(in)			::	iLutJ(0:niftot)
integer,	intent(in)			::	procJ