cpmdstub_mod Module

Contents

Subroutines

INITFINDXI CPMDANTISYMINTEL CPMDGETOCC CalcHarPIInts KPntSymInt

Subroutines

public subroutine INITFINDXI(I, J, K, L, UMATEL, gen2ints)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	I
integer				::	J
integer				::	K
integer				::	L
real(kind=dp)				::	UMATEL
logical				::	gen2ints

public subroutine CPMDANTISYMINTEL(G1, UMat2D, HarInt, nStates)

Arguments

Type	Intent	Optional	Attributes		Name
type(BasisFN)				::	G1(*)
real(kind=dp)				::	UMat2D(*)
complex(kind=dp)				::	HarInt(*)
integer				::	nStates

public subroutine CPMDGETOCC(ISTATE, OCC)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	ISTATE
real(kind=dp)				::	OCC

public subroutine CalcHarPIInts(HarInt, nStates)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp)				::	HarInt(nStates,nStates)
integer				::	nStates

public subroutine KPntSymInt(i, j, k, l, a, b, c, d)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	i
integer				::	j
integer				::	k
integer				::	l
integer				::	a
integer				::	b
integer				::	c
integer				::	d