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fleur
fleur
Commits
3ffc2456
Commit
3ffc2456
authored
Sep 24, 2019
by
Robin Hilgers
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Revert "added the first few options to be plotted into fleur.f"
This reverts commit
9ade4527
parent
9ade4527
Changes
1
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main/fleur.F90
View file @
3ffc2456
...
...
@@ -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
)
...
...
@@ -71,7 +64,6 @@ CONTAINS
USE
m_dwigner
USE
m_ylm
USE
m_metagga
USE
m_plot
#ifdef CPP_MPI
USE
m_mpi_bc_potden
#endif
...
...
@@ -157,11 +149,6 @@ CONTAINS
CALL
writeDensity
(
stars
,
vacuum
,
atoms
,
cell
,
sphhar
,
input
,
sym
,
oneD
,
archiveType
,
CDN_INPUT_DEN_const
,&
0
,
-1.0
,
results
%
ef
,
.FALSE.
,
inDen
)
END
IF
! IF ((sliceplot%iplot.NE.0 ).AND.(mpi%irank==0) ) THEN
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_INPDEN_INDEX_const,inDen)
! END IF
! Initialize and load inDen density (end)
! Initialize potentials (start)
...
...
@@ -254,14 +241,6 @@ CONTAINS
obsolete
,
cell
,
oneD
,
sliceplot
,
mpi
,
results
,
noco
,
EnergyDen
,
inDen
,
vTot
,
vx
,
vCoul
)
CALL
timestop
(
"generation of potential"
)
! IF ((sliceplot%iplot.NE.0 ).AND.(mpi%irank==0) ) THEN
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_POT_TOT_INDEX_const,vTot)
! END IF
! IF ((sliceplot%iplot.NE.0 ).AND.(mpi%irank==0) ) THEN
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_POT_COU_INDEX_const,vCoul)
! END IF
#ifdef CPP_MPI
CALL
MPI_BARRIER
(
mpi
%
mpi_comm
,
ierr
)
#endif
...
...
@@ -386,14 +365,6 @@ CONTAINS
enpara
,
cell
,
noco
,
vTot
,
results
,
oneD
,
coreSpecInput
,&
archiveType
,
xcpot
,
outDen
,
EnergyDen
)
! IF ((sliceplot%iplot.NE.0 ).AND.(mpi%irank==0) ) THEN
! IF-statement to check whether we remove core densities
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_OUTDEN_Y_CORE_INDEX_const,outDen)
! ELSE
! CALL makeplots(input%jspins,noco,sliceplot%iplot,PLOT_OUTDEN_N_CORE_INDEX_const,outDen)
! END IF
! END IF
IF
(
input
%
l_rdmft
)
THEN
SELECT
TYPE
(
xcpot
)
TYPE
IS
(
t_xcpot_inbuild
)
...
...
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