Commit 057abe16 authored by Robin Hilgers's avatar Robin Hilgers

Started deubgging plot.f90. Included plot.f90 in cmake.

parent d6d794e9
......@@ -10,4 +10,5 @@ optional/outcdn.f90
optional/pldngen.f90
optional/plotdop.f90
optional/stden.f90
optional/plot.f90
)
......@@ -404,12 +404,14 @@ CONTAINS
TYPE(t_input), INTENT(IN) :: input
TYPE(t_sym), INTENT(IN) :: sym
TYPE(t_cell), INTENT(IN) :: cell
TYPE(t_sliceplot), INTENT(IN) :: sliceplot
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_potden), INTENT(IN) :: den
! .. Logical Arguments ..
LOGICAL, INTENT (IN) logicPotential
LOGICAL, INTENT (IN) :: logicPotential
! .. Integer Arguments ..
INTEGER, INTENT(IN) :: fileNumberRead,fileNumberWrite
! .. Local Scalars ..
......@@ -420,7 +422,6 @@ CONTAINS
LOGICAL :: cartesian,xsf,unwind,polar
! .. Local Arrays ..
TYPE(t_potden) :: den
REAL :: xdnout
REAL :: pt(3),vec1(3),vec2(3),vec3(3),zero(3),help(3),qssc(3)
INTEGER :: grid(3)
......@@ -433,13 +434,8 @@ CONTAINS
NAMELIST /plot/twodim,cartesian,unwind,vec1,vec2,vec3,grid,zero,phi0,filename
nfile = 120
ALLOCATE(den)
! Subtract core charge if input%score is set !TODO: Implement when density is plotted.
! IF ((.NOT.noco%l_noco).AND.(input%score)) THEN
! OPEN (17,file='cdnc',form='unformatted',status='old')
......@@ -477,19 +473,16 @@ CONTAINS
! numOutFiles = 7
!END IF
!END IF
ALLOCATE(outFilenames(1))
outFilenames(1) = fileName!We can do this more elegant later.
! If xsf is specified we create input files for xcrysden
xsf=.TRUE.
OPEN(nfile+1,file=TRIM(ADJUSTL(outFilenames(i)))//'.xsf',form='formatted')
OPEN(nfile+1,file=TRIM(ADJUSTL(fileName))//'.xsf',form='formatted')
CALL xsf_WRITE_atoms(nfile+i,atoms,input%film,oneD%odi%d1,cell%amat)
! Loop over all plots
! Loop over all plots (Generate Grid points)
DO nplo = 1, nplot
! the defaults
......@@ -551,7 +544,7 @@ CONTAINS
END IF
CALL outcdn(pt,nt,na,iv,iflag,jsp,logicPotential,stars,&
vacuum,sphhar,atoms,sym,cell,oneD,&
den,xdnout)
den,xdnout) !(Calculation of pot/den value at the given point.)
!IF (na.NE.0) THEN!TODO: do it somewhere else.
! IF (noco%l_ss) THEN
......@@ -625,8 +618,7 @@ CONTAINS
END DO !nplot
CLOSE(fileNumberRead)
CLOSE(nfile=1)
END IF
CLOSE(nfile+1)
END SUBROUTINE scalarplot
!--------------------------------------------------------------------------------------------
......@@ -699,9 +691,9 @@ CONTAINS
INTEGER :: i
! Plotting the density matrix as n or n,m or n,mx,my,mz
IF jplot==2 THEN
IF jspins==2 THEN
IF noco%l_noco THEN
IF (jplot.EQ.2) THEN
IF (jspins.EQ.2) THEN
IF (noco%l_noco) THEN
ALLOCATE(outFilenames(4))
outFilenames(1)='cden'
outFilenames(2)='mdnx'
......
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