Calc Module

Uses

Variables

Type	Visibility	Attributes		Name		Initial
logical,	protected		::	RDMsamplingiters_in_inp

Interfaces

interface

private subroutine inpgetmethod(tokens, I_HMAX, NWHTAY, I_V)

Arguments

Type	Intent	Optional	Attributes		Name
type(TokenIterator_t),	intent(inout)			::	tokens
integer				::	I_HMAX
integer				::	NWHTAY
integer				::	I_V

Functions

private pure function inpgetexcitations(w) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=16),	intent(in)			::	w

Return Value integer

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

Arguments

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

public subroutine CalcInit()

Arguments

None

public subroutine CalcDoCalc(kp)

Arguments

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

public subroutine CalcCleanup()

Arguments

None