AnnihilationMod Module

Uses

Contents

Functions

test_abort_spawn

Subroutines

DirectAnnihilation communicate_and_merge_spawns SendProcNewParts CompressSpawnedList HistAnnihilEvent FindResidualParticle CompressSpawnedList_simple FindResidualParticle_simple rm_non_inits_from_spawnedparts deterministic_annihilation AnnihilateSpawnedParts stochRoundSpawn truncateSpawn getEScale add_en2_pert_for_init_calc add_en2_pert_for_trunc_calc SendSpawnInfo

Functions

public pure function test_abort_spawn(ilut_spwn, part_type) result(abort)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut_spwn(0:IlutBits%len_bcast)
integer,	intent(in)			::	part_type

Return Value logical

Subroutines

public subroutine DirectAnnihilation(TotWalkersNew, MaxIndex, iter_data, err)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	TotWalkersNew
integer,	intent(inout)			::	MaxIndex
type(fcimc_iter_data),	intent(inout)			::	iter_data
integer,	intent(out)			::	err

public subroutine communicate_and_merge_spawns(MaxIndex, iter_data, tSingleProc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(out)			::	MaxIndex
type(fcimc_iter_data),	intent(inout)			::	iter_data
logical,	intent(in)			::	tSingleProc

public subroutine SendProcNewParts(MaxIndex, tSingleProc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(out)			::	MaxIndex
logical,	intent(in)			::	tSingleProc

public subroutine CompressSpawnedList(ValidSpawned, iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	ValidSpawned
type(fcimc_iter_data),	intent(inout)			::	iter_data

private subroutine HistAnnihilEvent(iLut, Sign1, Sign2, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	iLut(0:NIfTot)
real(kind=dp),	intent(in),		dimension(lenof_sign)	::	Sign1
real(kind=dp),	intent(in),		dimension(lenof_sign)	::	Sign2
integer,	intent(in)			::	part_type

private subroutine FindResidualParticle(cum_det, new_det, part_type, iter_data, Spawned_No, Parent_Array_Ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	cum_det(0:nIfTot)
integer(kind=n_int),	intent(in)			::	new_det(0:IlutBits%len_bcast)
integer,	intent(in)			::	part_type
type(fcimc_iter_data),	intent(inout)			::	iter_data
integer,	intent(in)			::	Spawned_No
integer,	intent(inout)			::	Parent_Array_Ind

private subroutine CompressSpawnedList_simple(ValidSpawned, iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	ValidSpawned
type(fcimc_iter_data),	intent(inout)			::	iter_data

private subroutine FindResidualParticle_simple(cum_det, new_det, part_type, iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	cum_det(0:nIfTot)
integer(kind=n_int),	intent(in)			::	new_det(0:niftot+nifd+2)
integer,	intent(in)			::	part_type
type(fcimc_iter_data),	intent(inout)			::	iter_data

public subroutine rm_non_inits_from_spawnedparts(ValidSpawned, iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	ValidSpawned
type(fcimc_iter_data),	intent(inout)			::	iter_data

public subroutine deterministic_annihilation(iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
type(fcimc_iter_data),	intent(inout)			::	iter_data

public subroutine AnnihilateSpawnedParts(ValidSpawned, TotWalkersNew, iter_data, err)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	ValidSpawned
integer,	intent(inout)			::	TotWalkersNew
type(fcimc_iter_data),	intent(inout)			::	iter_data
integer,	intent(out)			::	err

private subroutine stochRoundSpawn(iter_data, SignTemp, i, j, scFVal, ScaledOccupiedThresh, tTruncate)

Arguments

Type	Intent	Optional	Attributes		Name
type(fcimc_iter_data),	intent(inout)			::	iter_data
real(kind=dp),	intent(inout)			::	SignTemp(lenof_sign)
integer,	intent(in)			::	i
integer,	intent(in)			::	j
real(kind=dp),	intent(in)			::	scFVal
real(kind=dp),	intent(in)			::	ScaledOccupiedThresh
logical,	intent(in)			::	tTruncate

private subroutine truncateSpawn(iter_data, SignTemp, i, j, scFVal, SignProd)

Arguments

Type	Intent	Optional	Attributes		Name
type(fcimc_iter_data),	intent(inout)			::	iter_data
real(kind=dp),	intent(inout)			::	SignTemp(lenof_sign)
integer,	intent(in)			::	i
integer,	intent(in)			::	j
real(kind=dp),	intent(in)			::	scFVal
real(kind=dp),	intent(in)			::	SignProd

private subroutine getEScale(nJ, i, diagH, offdiagH, scFVal, ScaledOccupiedThresh)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nJ(nel)
integer,	intent(in)			::	i
real(kind=dp),	intent(out)			::	diagH
real(kind=dp),	intent(out)			::	offdiagH
real(kind=dp),	intent(out)			::	scFVal
real(kind=dp),	intent(out)			::	ScaledOccupiedThresh

private subroutine add_en2_pert_for_init_calc(ispawn, abort, nJ, SpawnedSign)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ispawn
logical,	intent(in)			::	abort(lenof_sign)
integer,	intent(in)			::	nJ(nel)
real(kind=dp),	intent(in)			::	SpawnedSign(lenof_sign)

private subroutine add_en2_pert_for_trunc_calc(ispawn, nJ, SpawnedSign, iter_data)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ispawn
integer,	intent(in)			::	nJ(nel)
real(kind=dp),	intent(inout)			::	SpawnedSign(lenof_sign)
type(fcimc_iter_data),	intent(inout)			::	iter_data

private subroutine SendSpawnInfo(tSingleProc)

Arguments

Type	Intent	Optional	Attributes		Name
logical,	intent(in)			::	tSingleProc