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fleur
fleur
Commits
b4d53b0c
Commit
b4d53b0c
authored
Apr 27, 2017
by
Gregor Michalicek
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Bugfix in cdn_io + increase maximal position factor in w_inpXML
parent
68883baf
Changes
2
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2 deletions
+2
-2
io/cdn_io.F90
io/cdn_io.F90
+1
-1
io/w_inpXML.f90
io/w_inpXML.f90
+1
-1
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io/cdn_io.F90
View file @
b4d53b0c
...
...
@@ -1246,8 +1246,8 @@ MODULE m_cdn_io
CALL
closeCDNPOT_HDF
(
fileID
)
startNumber
=
1
endNumber
=
lastDensityIndex
-
1
END
IF
#endif
END
IF
END
IF
ELSE
DO
i
=
1
,
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))
...
...
io/w_inpXML.f90
View file @
b4d53b0c
...
...
@@ -542,7 +542,7 @@ SUBROUTINE w_inpXML(&
tempTaual
(
2
,
na
)
=
atoms
%
taual
(
2
,
na
)
tempTaual
(
3
,
na
)
=
atoms
%
taual
(
3
,
na
)
scpos
=
1.0
DO
i
=
2
,
9
DO
i
=
2
,
40
rest
=
ABS
(
i
*
tempTaual
(
1
,
na
)
-
NINT
(
i
*
tempTaual
(
1
,
na
)))
IF
((
scpos
(
1
)
.EQ.
1.0
)
.AND.
(
rest
.LT.
(
i
*
0.000001
)))
scpos
(
1
)
=
real
(
i
)
rest
=
ABS
(
i
*
tempTaual
(
2
,
na
)
-
NINT
(
i
*
tempTaual
(
2
,
na
)))
...
...
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