PopsfileMod Module


Uses

Used by


Contents

Variables

Interfaces

Functions

Subroutines


Variables

Type Visibility Attributes Name Initial
logical, public :: tRealPOPSfile

Interfaces

interface

  • public module subroutine ChangeRefDet(DetCurr)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: DetCurr(nel)

Functions

public function read_pops_splitpops(iunit, PopNel, det_tmp, binary_pops, det_list, max_dets, PopNIfSgn, gdata_read_handler, trimmed_parts) result(CurrWalkers)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunit
integer, intent(in) :: PopNel
integer, intent(out) :: det_tmp(PopNel)
logical, intent(in) :: binary_pops
integer(kind=n_int), intent(out) :: det_list(0:NifTot,max_dets)
integer, intent(in) :: max_dets
integer, intent(in) :: PopNIfSgn
type(gdata_io_t), intent(in) :: gdata_read_handler
logical, intent(inout) :: trimmed_parts

Return Value integer(kind=int64)

public function read_pops_general(iunit, PopNel, det_tmp, binary_pops, det_list, max_dets, ReadBatch, EndPopsList, PopNIfSgn, gdata_read_handler, trimmed_parts) result(CurrWalkers)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunit
integer, intent(in) :: PopNel
integer, intent(out) :: det_tmp(PopNel)
logical, intent(in) :: binary_pops
integer(kind=n_int), intent(out) :: det_list(0:NIfTot,max_dets)
integer, intent(in) :: max_dets
integer, intent(in) :: ReadBatch
integer(kind=int64), intent(in) :: EndPopsList
integer, intent(in) :: PopNIfSgn
type(gdata_io_t), intent(in) :: gdata_read_handler
logical, intent(inout) :: trimmed_parts

Return Value integer(kind=int64)

public function read_popsfile_det(iunit, nel_loc, BinPops, WalkerTemp, nI, PopNifSgn, decode_det, nread, gdata_tmp, read_max, trimmed_parts) result(tEOF)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunit
integer, intent(in) :: nel_loc
logical, intent(in) :: BinPops
integer(kind=n_int), intent(out) :: WalkerTemp(0:NIfTot)
integer, intent(out) :: nI(nel_loc)
integer, intent(in) :: PopNifSgn
logical, intent(in) :: decode_det
integer(kind=int64), intent(out) :: nread
real(kind=dp), intent(out) :: gdata_tmp(:)
integer(kind=int64), intent(in), optional :: read_max
logical, intent(inout), optional :: trimmed_parts

Return Value logical

public function FindPopsfileVersion(iunithead)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunithead

Return Value integer

public function write_pops_det(iunit, iunit_2, det, j, gdata) result(bWritten)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunit
integer, intent(in) :: iunit_2
integer(kind=n_int), intent(inout) :: det(0:NIfTot)
integer :: j
real(kind=dp), intent(in) :: gdata(:,:)

Return Value logical


Subroutines

public subroutine ReadFromPopsfile(EndPopsList, ReadBatch, CurrWalkers, CurrParts, CurrHF, Dets, DetsLen, pops_nnodes, pops_walkers, PopNIfSgn, PopNel, PopBalanceBlocks, gdata_read_handler, tCalcExtraInfo, filename_stem)

Arguments

Type IntentOptional Attributes Name
integer(kind=int64), intent(in) :: EndPopsList
integer, intent(in) :: ReadBatch
integer(kind=int64), intent(out) :: CurrWalkers
real(kind=dp) :: CurrParts(lenof_sign)
real(kind=dp), intent(out) :: CurrHF(lenof_sign)
integer(kind=n_int), intent(out) :: Dets(0:nIfTot,DetsLen)
integer, intent(in) :: DetsLen
integer, intent(in) :: pops_nnodes
integer(kind=int64), intent(in) :: pops_walkers(0:nProcessors-1)
integer :: PopNIfSgn
integer, intent(inout) :: PopNel
integer, intent(inout) :: PopBalanceBlocks
type(gdata_io_t), intent(in) :: gdata_read_handler
logical, intent(in) :: tCalcExtraInfo
character(len=*), intent(in), optional :: filename_stem

public subroutine read_popsfile_wrapper(perturbs)

Arguments

Type IntentOptional Attributes Name
type(perturbation), intent(in), optional, allocatable :: perturbs(:)

public subroutine InitFCIMC_pops(iPopAllTotWalkers, PopNIfSgn, PopNel, pops_nnodes, pops_walkers, perturbs, PopBalanceBlocks, PopDiagSft, source_name)

Arguments

Type IntentOptional Attributes Name
integer(kind=int64), intent(in) :: iPopAllTotWalkers
integer, intent(in) :: PopNIfSgn
integer, intent(inout) :: PopNel
integer, intent(in) :: pops_nnodes
integer(kind=int64), intent(in) :: pops_walkers(0:nProcessors-1)
type(perturbation), intent(in), optional, allocatable :: perturbs(:)
integer, intent(inout) :: PopBalanceBlocks
real(kind=dp), intent(in) :: PopDiagSft(inum_runs)
character(len=*), intent(in), optional :: source_name

public subroutine CheckPopsParams(tPop64Bit, tPopHPHF, tPopLz, iPopLenof_sign, iPopNel, iPopAllTotWalkers, PopDiagSft, PopSumNoatHF, PopAllSumENum, iPopIter, PopNIfD, PopNIfSgn, PopNIfTot, WalkerListSize, read_tau, PopBlockingIter, read_psingles, read_pparallel, read_ptriples, perturb_ncreate, perturb_nann)

Arguments

Type IntentOptional Attributes Name
logical, intent(in) :: tPop64Bit
logical, intent(in) :: tPopHPHF
logical, intent(in) :: tPopLz
integer, intent(in) :: iPopLenof_sign
integer, intent(in) :: iPopNel
integer(kind=int64), intent(in) :: iPopAllTotWalkers
real(kind=dp), intent(in) :: PopDiagSft(inum_runs)
real(kind=dp), intent(in), dimension(lenof_sign) :: PopSumNoatHF
real(kind=dp), intent(in) :: PopAllSumENum(inum_runs)
integer, intent(in) :: iPopIter
integer, intent(in) :: PopNIfD
integer, intent(in) :: PopNIfSgn
integer, intent(in) :: PopNIfTot
integer, intent(out) :: WalkerListSize
real(kind=dp), intent(in) :: read_tau
integer, intent(in) :: PopBlockingIter
real(kind=dp), intent(in) :: read_psingles
real(kind=dp), intent(in) :: read_pparallel
real(kind=dp), intent(in) :: read_ptriples
integer, intent(in) :: perturb_ncreate
integer, intent(in) :: perturb_nann

public subroutine ReadPopsHeadv3(iunithead, tPop64Bit, tPopHPHF, tPopLz, iPopLenof_sign, iPopNel, iPopAllTotWalkers, PopDiagSft, PopSumNoatHF, PopAllSumENum, iPopIter, PopNIfD, PopNIfSgn, PopNIfFlag, PopNIfTot)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunithead
logical, intent(out) :: tPop64Bit
logical, intent(out) :: tPopHPHF
logical, intent(out) :: tPopLz
integer, intent(out) :: iPopLenof_sign
integer, intent(out) :: iPopNel
integer(kind=int64), intent(out) :: iPopAllTotWalkers
real(kind=dp), intent(out) :: PopDiagSft(inum_runs)
real(kind=dp), intent(out), dimension(lenof_sign/inum_runs) :: PopSumNoatHF
real(kind=dp), intent(out) :: PopAllSumENum(inum_runs)
integer, intent(out) :: iPopIter
integer, intent(out) :: PopNIfD
integer, intent(out) :: PopNIfSgn
integer, intent(out) :: PopNIfFlag
integer, intent(out) :: PopNIfTot

public subroutine ReadPopsHeadv4(iunithead, tPop64Bit, tPopHPHF, tPopLz, iPopLenof_sign, iPopNel, iPopAllTotWalkers, PopDiagSft, PopSumNoatHF_out, PopAllSumENum, iPopIter, PopNIfD, PopNIfSgn, Popinum_runs, PopNIfFlag, PopNIfTot, read_tau, PopBlockingIter, PopRandomHash, read_psingles, read_pparallel, read_ptriples, read_nnodes, read_walkers_on_nodes, PopBalanceBlocks)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunithead
logical, intent(out) :: tPop64Bit
logical, intent(out) :: tPopHPHF
logical, intent(out) :: tPopLz
integer, intent(out) :: iPopLenof_sign
integer, intent(out) :: iPopNel
integer(kind=int64), intent(out) :: iPopAllTotWalkers
real(kind=dp), intent(out) :: PopDiagSft(inum_runs)
real(kind=dp), intent(out) :: PopSumNoatHF_out(lenof_sign)
real(kind=dp), intent(out) :: PopAllSumENum(inum_runs)
integer, intent(out) :: iPopIter
integer, intent(out) :: PopNIfD
integer, intent(out) :: PopNIfSgn
integer, intent(out) :: Popinum_runs
integer, intent(out) :: PopNIfFlag
integer, intent(out) :: PopNIfTot
real(kind=dp), intent(out) :: read_tau
integer, intent(out) :: PopBlockingIter
integer, intent(out) :: PopRandomHash(2056)
real(kind=dp), intent(out) :: read_psingles
real(kind=dp), intent(out) :: read_pparallel
real(kind=dp), intent(out) :: read_ptriples
integer, intent(out) :: read_nnodes
integer(kind=int64), intent(out) :: read_walkers_on_nodes(0:nProcessors-1)
integer, intent(out) :: PopBalanceBlocks

public subroutine open_pops_head(iunithead, formpops, binpops, filename_stem)

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: iunithead
logical, intent(out) :: formpops
logical, intent(out) :: binpops
character(len=255), intent(in), optional :: filename_stem

public subroutine WriteToPopsfileParOneArr(Dets, nDets, filename_stem)

!if(tRDMonFly.and.(.not.tExplicitAllRDM)) then ! ! And now for CurrentH ! j = int(WalkersonNodes(i)) * (1+2*lenof_sign) ! call MPIRecv (AllCurrentH(:, 1:WalkersonNodes(i)), j, & ! NodeRoots(i), Tag2, error) !endif

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Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(inout) :: Dets(0:nIfTot,1:nDets)
integer(kind=int64), intent(in) :: nDets
character(len=255), intent(in), optional :: filename_stem

public subroutine write_popsfile_header(iunit, num_walkers, WalkersonNodes)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: iunit
integer(kind=int64), intent(in) :: num_walkers
integer(kind=int64), intent(in) :: WalkersonNodes(:)

public subroutine ReadFromPopsfilePar()

” CurrentH(1:1+2lenof_sign,CurrWalkers)=CurrentHEntry(1:1+2lenof_sign)

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Arguments

None

public subroutine write_pops_norm()

Arguments

None