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fleur
fleur
Commits
77917015
Commit
77917015
authored
Sep 27, 2019
by
Alexander Neukirchen
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changed the handling of plot identifiers
parent
52018132
Changes
2
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2 changed files
with
17 additions
and
24 deletions
+17
-24
main/fleur.F90
main/fleur.F90
+1
-8
optional/plot.f90
optional/plot.f90
+16
-16
No files found.
main/fleur.F90
View file @
77917015
...
...
@@ -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_const,inDen)
! END IF
! Initialize and load inDen density (end)
...
...
optional/plot.f90
View file @
77917015
...
...
@@ -30,13 +30,6 @@ MODULE m_plot
!
! A. Neukirchen & R. Hilgers, September 2019
!------------------------------------------------
INTEGER
,
PARAMETER
::
PLOT_INPDEN_const
=
2
!ind_plot= 1
INTEGER
,
PARAMETER
::
PLOT_OUTDEN_Y_CORE_const
=
4
!ind_plot= 2
INTEGER
,
PARAMETER
::
PLOT_INPDEN_N_CORE_const
=
8
!ind_plot= 4
INTEGER
,
PARAMETER
::
PLOT_POT_TOT_const
=
128
!ind_plot= 7
INTEGER
,
PARAMETER
::
PLOT_POT_EXT_const
=
256
!ind_plot= 8
INTEGER
,
PARAMETER
::
PLOT_POT_COU_const
=
512
!ind_plot= 9
INTEGER
,
PARAMETER
::
PLOT_POT_VXC_const
=
1024
!ind_plot=10
PUBLIC
::
checkplotinp
,
makeplots
,
procplot
,
vectorsplit
,
matrixsplit
,
scalarplot
,
vectorplot
,
matrixplot
...
...
@@ -697,14 +690,19 @@ noco,sphhar,sym,vacuum,den,fileNameIN,logicPotential) !filename: READ filename o
END
SUBROUTINE
matrixplot
!--------------------------------------------------------------------------------------------
SUBROUTINE
read_plot_inp
()
END
SUBROUTINE
!--------------------------------------------------------------------------------------------
SUBROUTINE
procplot
(
jspins
,
noco
,
iplot
,
ind_plo
t
,
den
)
SUBROUTINE
procplot
(
jspins
,
noco
,
iplot
,
plot_cons
t
,
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
(
jplo
t
.EQ.
2
)
THEN
IF
(
plot_cons
t
.EQ.
2
)
THEN
IF
(
jspins
.EQ.
2
)
THEN
IF
(
noco
%
l_noco
)
THEN
ALLOCATE
(
outFilenames
(
4
))
...
...
@@ -729,18 +727,20 @@ 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_plo
t
!Index of the plot according to the constants set above
INTEGER
INTENT
(
IN
)
::
plot_cons
t
!Index of the plot according to the constants set above
INTEGER
::
jplot
TYPE
(
t_noco
),
INTENT
(
IN
)
::
noco
LOGICAL
::
allowplot
jplot
=
2
**
plot_const
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_plo
t
,
den
)
CALL
procplot
(
jspins
,
noco
,
iplot
,
plot_cons
t
,
den
)
END
IF
END
SUBROUTINE
makeplots
...
...
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