Calc Module



Contents


Variables

Type Visibility Attributes Name Initial
logical, public :: RDMsamplingiters_in_inp

Subroutines

public subroutine SetCalcDefaults()

Arguments

None

public subroutine CalcReadInput(file_reader)

An FCIMC option - MemoryFac is the factor by which space will be made available for particles sent to

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Arguments

Type IntentOptional Attributes Name
class(FileReader_t), intent(inout) :: file_reader

public subroutine CalcInit()

Arguments

None

public subroutine CalcDoCalc(kp)

Arguments

Type IntentOptional Attributes Name
type(kp_fciqmc_data), intent(inout) :: kp

public subroutine CalcCleanup()

Arguments

None

public subroutine parse_definedet(tokens, def_det)

Arguments

Type IntentOptional Attributes Name
type(TokenIterator_t), intent(inout) :: tokens
integer, intent(out) :: def_det(nEl)