neci_intfce Module

Contents

Interfaces

gensymexcitit3par genexcitprob setbasislim_hub setbasislim_hubtilt calctmathub

Interfaces

interface

• public subroutine gensymexcitit3par(ni, tsetup, nmem, nj, ic, store, ilevel, iminelec1, imaxelec1)

  Arguments

  Type	Intent	Optional	Attributes		Name
  integer				::	ni(nel)
  logical				::	tsetup
  integer,			target	::	nmem(*)
  integer				::	nj(nel)
  integer				::	ic
  integer				::	store(6)
  integer				::	ilevel
  integer				::	iminelec1
  integer				::	imaxelec1

interface

• public subroutine genexcitprob(ni, nj, nel, niexcitor, g1, nbasismax, arr, nbasis, pgen)

  Arguments

  Type	Intent	Optional	Attributes		Name
  integer				::	ni(nel)
  integer				::	nj(nel)
  integer				::	nel
  integer,			target	::	niexcitor(*)
  type(basisfn)				::	g1(nbasis)
  integer				::	nbasismax(*)
  real(kind=dp)				::	arr(nbasis,2)
  integer				::	nbasis
  real(kind=dp)				::	pgen

interface

• public subroutine setbasislim_hub(nbasismax, nmaxx, nmaxy, nmaxz, len, tpbc, treal)

  Arguments

  Type	Intent	Optional	Attributes		Name
  integer				::	nbasismax(5,*)
  integer				::	nmaxx
  integer				::	nmaxy
  integer				::	nmaxz
  integer				::	len
  logical				::	tpbc
  logical				::	treal

interface

• public subroutine setbasislim_hubtilt(nbasismax, nmaxx, nmaxy, nmaxz, len, tpbc, itiltx, itilty)

  Arguments

  Type	Intent	Optional	Attributes		Name
  integer				::	nbasismax(5,*)
  integer				::	nmaxx
  integer				::	nmaxy
  integer				::	nmaxz
  integer				::	len
  logical				::	tpbc
  integer				::	itiltx
  integer				::	itilty

interface

• public subroutine calctmathub(nbasis, nbasismax, bhub, ttilt, g1, treal, tpbc)

  Arguments

  Type	Intent	Optional	Attributes		Name
  integer				::	nbasis
  integer				::	nbasismax(5,*)
  real(kind=dp)				::	bhub
  logical				::	ttilt
  type(basisfn)				::	g1(nbasis)
  logical				::	treal
  logical				::	tpbc