Commit 1f432947 authored by Robin Hilgers's avatar Robin Hilgers

Edited pointgen

parent 75894993
......@@ -492,22 +492,22 @@ noco,sphhar,sym,vacuum,den,fileNameIN,logicPotential) !filename: READ filename o
!-------------------------------------------------------------------------------------------
SUBROUTINE pointGen(nplo)
!NAMELIST /plot/twodim,cartesian,unwind,vec1,vec2,vec3,grid,zero,phi0,filename CALL?
INTEGER, INTENT (IN) :: nplo
REAL, DIMENSION(3,:), ALLOCATABLE :: pointMesh
! Loop over all plots (Generate Grid points)
DO nplo = 1, nplot
! the defaults
twodim = .TRUE.
cartesian = .TRUE.
grid = (/100,100,100/)
vec1 = (/0.,0.,0./)
vec2 = (/0.,0.,0./)
vec3 = (/0.,0.,0./)
zero = (/0.,0.,0./)
filename = "default"
READ(fileNumberRead,plot)
!twodim = .TRUE.
!cartesian = .TRUE.
!grid = (/100,100,100/)
!vec1 = (/0.,0.,0./)
!vec2 = (/0.,0.,0./)
!vec3 = (/0.,0.,0./)
!zero = (/0.,0.,0./)
!filename = "default"
!READ(fileNumberRead,plot) => callReadPlotinp
IF (twodim.AND.ANY(grid(1:2)<1)) &
CALL juDFT_error("Illegal grid size in plot",calledby="plotdop")
IF (.NOT.twodim.AND.ANY(grid<1)) &
......@@ -518,8 +518,6 @@ INTEGER, INTENT (IN) :: nplo
IF (filename =="default") WRITE(filename,'(a,i2)') "plot",nplo !Which role does "default" exactly play?
CALL xsf_WRITE_header(nfile+1,twodim,filename,vec1,vec2,vec3,zero,grid)
!loop over all points
DO iz = 0, grid(3)-1
DO iy = 0, grid(2)-1
......@@ -553,12 +551,11 @@ INTEGER, INTENT (IN) :: nplo
iflag = 2
pt(:) = point(:)
END IF
CALL outcdn(pt,nt,na,iv,iflag,jsp,logicPotential,stars,&
vacuum,sphhar,atoms,sym,cell,oneD,&
den,xdnout) !(Calculation of pot/den value at the given point.)
!CALL outcdn(pt,nt,na,iv,iflag,jsp,logicPotential,stars,&
! vacuum,sphhar,atoms,sym,cell,oneD,&
! 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
!IF (na.NE.0.AND.noco%l_ss) THEN!TODO: do it somewhere else.
! ! rotate magnetization "backward"
! angss = DOT_PRODUCT(qssc,pt-atoms%pos(:,na))
! help(1) = xdnout(2)
......@@ -566,7 +563,6 @@ INTEGER, INTENT (IN) :: nplo
! xdnout(2) = +help(1)*COS(angss)+help(2)*SIN(angss)
! xdnout(3) = -help(1)*SIN(angss)+help(2)*COS(angss)
! ! xdnout(2)=0. ; xdnout(3)=0. ; xdnout(4)=0.
! END IF
!END IF
!IF (noco%l_ss .AND. (.NOT. unwind)) THEN !TODO: do it somewhere else.
......@@ -717,7 +713,7 @@ END SUBROUTINE pointGen
IF (jplot.EQ.2) THEN
IF (jspins.EQ.2) THEN
IF (noco%l_noco) THEN
ALLOCATE(outFilenames(4))
TE(outFilenames(4))
outFilenames(1)='cden'
outFilenames(2)='mdnx'
outFilenames(3)='mdny'
......
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