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fleur
fleur
Commits
917abc43
Commit
917abc43
authored
Apr 26, 2018
by
Gregor Michalicek
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Bugfix for slice plots and HDF5
parent
ee533762
Changes
2
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2 changed files
with
9 additions
and
2 deletions
+9
-2
io/cdn_io.F90
io/cdn_io.F90
+8
-1
main/cdngen.F90
main/cdngen.F90
+1
-1
No files found.
io/cdn_io.F90
View file @
917abc43
...
...
@@ -230,7 +230,14 @@ MODULE m_cdn_io
1
,
-1.0
,
fermiEnergy
,
l_qfix
,
den
)
END
IF
ELSE
WRITE
(
*
,
*
)
TRIM
(
ADJUSTL
(
filename
))//
' file or relevant density entry not found.'
INQUIRE
(
FILE
=
TRIM
(
ADJUSTL
(
filename
)),
EXIST
=
l_exist
)
IF
(
l_exist
)
THEN
WRITE
(
*
,
*
)
'densityType is '
,
densityType
WRITE
(
*
,
*
)
'Relevant density entry is '
//
TRIM
(
ADJUSTL
(
archiveName
))//
'.'
WRITE
(
*
,
*
)
'Entry not found in '
//
TRIM
(
ADJUSTL
(
filename
))//
'.'
ELSE
WRITE
(
*
,
*
)
TRIM
(
ADJUSTL
(
filename
))//
' file not found.'
END
IF
WRITE
(
*
,
*
)
'Falling back to stream access.'
mode
=
CDN_STREAM_MODE
END
IF
...
...
main/cdngen.F90
View file @
917abc43
...
...
@@ -120,7 +120,7 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
IF
(
sliceplot
%
slice
)
THEN
IF
(
mpi
%
irank
.EQ.
0
)
THEN
CALL
writeDensity
(
stars
,
vacuum
,
atoms
,
cell
,
sphhar
,
input
,
sym
,
oneD
,
archiveType
,
CDN_INPUT_DEN_const
,&
CALL
writeDensity
(
stars
,
vacuum
,
atoms
,
cell
,
sphhar
,
input
,
sym
,
oneD
,
CDN_ARCHIVE_TYPE_CDN_const
,
CDN_INPUT_DEN_const
,&
0
,
-1.0
,
0.0
,
.FALSE.
,
outDen
,
'cdn_slice'
)
END
IF
CALL
juDFT_end
(
"slice OK"
,
mpi
%
irank
)
...
...
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