Commit 65ec9ddd authored by Matthias Redies's avatar Matthias Redies

switch to freeformat

parent a99b24bf
set(fleur_F90 ${fleur_F90}
xc-pot/libxc_postprocess_gga.f90
xc-pot/potl0.f90
)
set(fleur_F77 ${fleur_F77}
xc-pot/potl0.f
xc-pot/corg91.F
xc-pot/corl91.f
xc-pot/corpbe.f
......
MODULE m_potl0
c ******************************************************************
c evaluate the xc-potential vxc for charge density and its
c gradients,dens,... only for nonmagnetic.
c ******************************************************************
CONTAINS
SUBROUTINE potl0(
> xcpot,mshd,jspd,jspins,msh,dx,rad,dens,
< vxc)
MODULE m_potl0
! ******************************************************************
! evaluate the xc-potential vxc for charge density and its
! gradients,dens,... only for nonmagnetic.
! ******************************************************************
CONTAINS
SUBROUTINE potl0(xcpot,mshd,jspd,jspins,msh,dx,rad,dens, &
vxc)
USE m_grdchlh
USE m_mkgl0
USE m_types
IMPLICIT NONE
c ..
CLASS(t_xcpot),intent(in)::xcpot
INTEGER, INTENT (IN) :: jspins,jspd,mshd,msh
REAL, INTENT (IN) :: dx
REAL, INTENT (IN) :: rad(msh),dens(mshd,jspd)
REAL, INTENT (OUT):: vxc(mshd,jspd)
c .. previously untyped names ..
! .. previously untyped names ..
INTEGER,PARAMETER :: ndvgrd=6
TYPE(t_gradients)::grad
INTEGER i,ispin
REAL, ALLOCATABLE :: drr(:,:),ddrr(:,:)
REAL :: vx(mshd,jspd)
ALLOCATE ( drr(mshd,jspd),ddrr(mshd,jspd))
ALLOCATE ( drr(mshd,jspd),ddrr(mshd,jspd))
!
!--> evaluate gradients of dens.
!
CALL xcpot%alloc_gradients(msh,1,grad)
CALL xcpot%alloc_gradients(msh,jspins,grad)
DO ispin = 1, jspins
CALL grdchlh(
> 1,1,msh,dx,rad,dens(1,ispin),ndvgrd,
< drr(1,ispin),ddrr(1,ispin))
CALL grdchlh(1,1,msh,dx,rad,dens(1,ispin),ndvgrd,&
drr(1,ispin),ddrr(1,ispin))
ENDDO
CALL mkgl0(
> mshd,msh,jspd,jspins,rad,dens,drr,ddrr,
< grad)
CALL mkgl0(mshd,msh,jspd,jspins,rad,dens,drr,ddrr,&
grad)
!
! --> calculate the potential.
!
call xcpot%get_vxc(jspins,dens,vxc,vx,grad)
call xcpot%get_vxc(jspins, dens, vxc, vx, grad)
DEALLOCATE ( drr,ddrr )
END SUBROUTINE potl0
END MODULE m_potl0
END SUBROUTINE potl0
END MODULE m_potl0
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