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fleur
fleur
Commits
cc886382
Commit
cc886382
authored
Apr 25, 2017
by
Gregor Michalicek
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Implement feature "delete all but last density"
parent
b32ecd78
Changes
1
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30 additions
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13 deletions
+30
-13
io/cdn_io.F90
io/cdn_io.F90
+30
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io/cdn_io.F90
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cc886382
...
...
@@ -1234,22 +1234,39 @@ MODULE m_cdn_io
separatorIndex
=
-1
startNumber
=
-1
endNumber
=
-1
DO
i
=
1
,
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))
IF
(
VERIFY
(
ddString
(
i
:
i
),
'1234567890'
)
.NE.
0
)
THEN
IF
((
ddString
(
i
:
i
)
.EQ.
'-'
)
.AND.
(
separatorIndex
.EQ.
-1
))
THEN
separatorIndex
=
i
ELSE
CALL
juDFT_error
(
"density deletion string format error"
,
calledby
=
"deleteDensities"
)
IF
(
TRIM
(
ADJUSTL
(
ddString
))
.EQ.
'allbutlast'
)
THEN
CALL
getMode
(
mode
)
IF
(
mode
.EQ.
CDN_HDF5_MODE
)
THEN
INQUIRE
(
FILE
=
'cdn.hdf'
,
EXIST
=
l_exist
)
IF
(
l_exist
)
THEN
#ifdef CPP_HDF
CALL
openCDN_HDF
(
fileID
,
currentStarsIndex
,
currentLatharmsIndex
,
currentStructureIndex
,&
currentStepfunctionIndex
,
readDensityIndex
,
lastDensityIndex
)
CALL
closeCDNPOT_HDF
(
fileID
)
startNumber
=
1
endNumber
=
lastDensityIndex
-
1
END
IF
#endif
END
IF
END
DO
IF
(
separatorIndex
.NE.
-1
)
THEN
READ
(
ddString
(
1
:
separatorIndex
-1
),
'(i7)'
)
startNumber
READ
(
ddString
(
separatorIndex
+1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
endNumber
ELSE
READ
(
ddString
(
1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
startNumber
READ
(
ddString
(
1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
endNumber
DO
i
=
1
,
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))
IF
(
VERIFY
(
ddString
(
i
:
i
),
'1234567890'
)
.NE.
0
)
THEN
IF
((
ddString
(
i
:
i
)
.EQ.
'-'
)
.AND.
(
separatorIndex
.EQ.
-1
))
THEN
separatorIndex
=
i
ELSE
CALL
juDFT_error
(
"density deletion string format error"
,
calledby
=
"deleteDensities"
)
END
IF
END
IF
END
DO
IF
(
separatorIndex
.NE.
-1
)
THEN
READ
(
ddString
(
1
:
separatorIndex
-1
),
'(i7)'
)
startNumber
READ
(
ddString
(
separatorIndex
+1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
endNumber
ELSE
READ
(
ddString
(
1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
startNumber
READ
(
ddString
(
1
:
LEN
(
TRIM
(
ADJUSTL
(
ddString
)))),
'(i7)'
)
endNumber
END
IF
END
IF
CALL
getMode
(
mode
)
...
...
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