Commit 9d08024c authored by Alexander Neukirchen's avatar Alexander Neukirchen

re-inserted tame changes into reverted branch

parent b2e291de
......@@ -30,6 +30,16 @@ MODULE m_constants
INTEGER, PARAMETER :: POTDEN_TYPE_EnergyDen = 5
INTEGER, PARAMETER :: POTDEN_TYPE_DEN = 1001 ! 1000 < POTDEN_TYPE ==> density
INTEGER, PARAMETER :: PLOT_INPDEN=1
INTEGER, PARAMETER :: PLOT_OUTDEN_Y_CORE=2
INTEGER, PARAMETER :: PLOT_INPDEN_N_CORE=3
INTEGER, PARAMETER :: PLOT_POT_TOT=7
INTEGER, PARAMETER :: PLOT_POT_EXT=8
INTEGER, PARAMETER :: PLOT_POT_COU=9
INTEGER, PARAMETER :: PLOT_POT_VXC=10
CHARACTER(2),DIMENSION(0:103),PARAMETER :: namat_const=(/&
'va',' H','He','Li','Be',' B',' C',' N',' O',' F','Ne',&
'Na','Mg','Al','Si',' P',' S','Cl','Ar',' K','Ca','Sc','Ti',&
......
......@@ -5,13 +5,6 @@
!--------------------------------------------------------------------------------
MODULE m_fleur
IMPLICIT NONE
INTEGER, PARAMETER :: PLOT_INPDEN_INDEX_const=1
INTEGER, PARAMETER :: PLOT_OUTDEN_Y_CORE_INDEX_const=2
INTEGER, PARAMETER :: PLOT_INPDEN_N_CORE_INDEX_const=3
INTEGER, PARAMETER :: PLOT_POT_TOT_INDEX_const=7
INTEGER, PARAMETER :: PLOT_POT_EXT_INDEX_const=8
INTEGER, PARAMETER :: PLOT_POT_COU_INDEX_const=9
INTEGER, PARAMETER :: PLOT_POT_VXC_INDEX_const=10
CONTAINS
SUBROUTINE fleur_execute(mpi_comm)
......@@ -159,7 +152,7 @@ CONTAINS
END IF
! IF ((sliceplot%iplot.NE.0 ).AND.(mpi%irank==0) ) THEN
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_INPDEN_INDEX_const,inDen)
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_INPDEN,inDen)
! END IF
! Initialize and load inDen density (end)
......
......@@ -696,12 +696,12 @@ noco,sphhar,sym,vacuum,den,fileNameIN,logicPotential) !filename: READ filename o
!--------------------------------------------------------------------------------------------
SUBROUTINE procplot(jspins,noco,iplot,ind_plot,den)
SUBROUTINE procplot(jspins,noco,iplot,plot_const,den)
CHARACTER (len=15), ALLOCATABLE :: outFilenames(:)
INTEGER :: i
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_noco), INTENT(IN) :: noco
! Plotting the density matrix as n or n,m or n,mx,my,mz
IF (jplot.EQ.2) THEN
IF (plot_const.EQ.1) THEN
IF (jspins.EQ.2) THEN
IF (noco%l_noco) THEN
ALLOCATE(outFilenames(4))
......@@ -726,18 +726,17 @@ noco,sphhar,sym,vacuum,den,fileNameIN,logicPotential) !filename: READ filename o
!--------------------------------------------------------------------------------------------
SUBROUTINE makeplots(jspins,noco,iplot,ind_plot,den)
SUBROUTINE makeplots(jspins,noco,iplot,plot_const,den)
USE m_constants
INTEGER, INTENT(IN) :: iplot
INTEGER, INTENT(IN) :: ind_plot !Index of the plot according to the constants set above
INTEGER :: jplot
INTEGER INTENT(IN) :: plot_const !Index of the plot according to constant setf in constants.f90
TYPE(t_noco), INTENT(IN) :: noco
LOGICAL :: allowplot
allowplot=BTEST(iplot,ind_plot).OR.(MODULO(iplot,2).NE.1)
IF (allowplot) THEN
jplot=2**ind_plot
allowplot=BTEST(iplot,plot_const).OR.(MODULO(iplot,2).NE.1)
IF (allowplot) THEN
CALL checkplotinp()
CALL procplot(jspins,noco,iplot,ind_plot,den)
CALL procplot(jspins,noco,iplot,plot_const,den)
END IF
END SUBROUTINE makeplots
......
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