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fleur
fleur
Commits
e27f5060
Commit
e27f5060
authored
Apr 01, 2022
by
Gregor Michalicek
Browse files
Put two more digits in output of eigenvalue sum in MAE calculations
parent
a7ec15ba
Changes
1
Hide whitespace changes
Inline
Side-by-side
forcetheorem/mae.F90
View file @
e27f5060
...
...
@@ -136,7 +136,7 @@ CONTAINS
!Locals
INTEGER
::
n
CHARACTER
(
LEN
=
1
2
)::
attributes
(
3
)
CHARACTER
(
LEN
=
1
6
)::
attributes
(
3
)
IF
(
this
%
directions_done
==
0
)
THEN
RETURN
ENDIF
...
...
@@ -151,9 +151,9 @@ CONTAINS
DO
n
=
1
,
SIZE
(
this
%
evsum
)
WRITE
(
attributes
(
1
),
'(f12.7)'
)
this
%
theta
(
n
)
WRITE
(
attributes
(
2
),
'(f12.7)'
)
this
%
phi
(
n
)
WRITE
(
attributes
(
3
),
'(f1
2.7
)'
)
this
%
evsum
(
n
)
WRITE
(
attributes
(
3
),
'(f1
6.9
)'
)
this
%
evsum
(
n
)
CALL
writeXMLElementForm
(
'Angle'
,(/
'theta '
,
'phi '
,
'ev-sum'
/),
attributes
,&
RESHAPE
((/
5
,
3
,
6
,
12
,
12
,
1
2
/),(/
3
,
2
/)))
RESHAPE
((/
5
,
3
,
6
,
12
,
12
,
1
6
/),(/
3
,
2
/)))
END
DO
CALL
closeXMLElement
(
'Forcetheorem_MAE'
)
ENDIF
...
...
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