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fleur
fleur
Commits
2c2994a0
Commit
2c2994a0
authored
Mar 20, 2017
by
Daniel Wortmann
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Bugfixes found by using gfortran
parent
e8f30e83
Changes
4
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4 changed files
with
4 additions
and
8 deletions
+4
-8
diagonalization/eigen_diag.F90
diagonalization/eigen_diag.F90
+0
-2
diagonalization/franza.F90
diagonalization/franza.F90
+2
-4
io/eig66_mem.F90
io/eig66_mem.F90
+1
-1
io/xmlOutput.F90
io/xmlOutput.F90
+1
-1
No files found.
diagonalization/eigen_diag.F90
View file @
2c2994a0
...
...
@@ -98,8 +98,6 @@ CONTAINS
LOGICAL
,
OPTIONAL
,
INTENT
(
IN
)
::
realdata
!Locals
REAL
::
time1
REAL
::
time2
INTEGER
::
ndim
,
err
,
n
,
nn
,
i
,
ndim1
LOGICAL
::
parallel
CHARACTER
(
len
=
20
)::
f
...
...
diagonalization/franza.F90
View file @
2c2994a0
...
...
@@ -76,7 +76,6 @@ CONTAINS
!to select real/complex data
LOGICAL
::
l_real
l_real
=
zMat
%
l_real
! IF (l_real.AND.PRESENT(a_c)) CALL juDFT_error("BUG in franza, call either with real OR complex data")
IF
(
l_real
)
THEN
...
...
@@ -161,7 +160,6 @@ CONTAINS
ENDIF
ENDDO
nsize
=
nred
ENDIF
!-gu
! --> start with Cholesky factorization of b ( so that b = l * l^t)
...
...
@@ -228,9 +226,9 @@ CONTAINS
ENDDO
ENDIF
IF
(
l_real
)
THEN
zMat
%
z_r
=
zz_r
(:,:
ne
)
zMat
%
z_r
(:,:
ne
)
=
zz_r
(:,:
ne
)
ELSE
zMat
%
z_c
=
zz_c
(:,:
ne
)
zMat
%
z_c
(:,:
ne
)
=
zz_c
(:,:
ne
)
END
IF
!
IF
(
ne
.GT.
neigd
)
THEN
...
...
io/eig66_mem.F90
View file @
2c2994a0
...
...
@@ -253,7 +253,7 @@ CONTAINS
IF
(
.NOT.
PRESENT
(
k2
)
.OR..NOT.
PRESENT
(
k3
))
CALL
juDFT_error
(
"BUG: always read k1,k2,k3"
)
k1
=
d
%
eig_int
(
3+1
:
3
+
size
(
k1
),
nrec
)
k2
=
d
%
eig_int
(
3
+
d
%
nmat
+1
:
3
+
d
%
nmat
+
size
(
k1
),
nrec
)
k3
=
d
%
eig_int
(
3+2
*
d
%
nmat
+1
:
3+2
*
d
%
nmat
*
size
(
k1
),
nrec
)
k3
=
d
%
eig_int
(
3+2
*
d
%
nmat
+1
:
3+2
*
d
%
nmat
+
size
(
k1
),
nrec
)
ENDIF
IF
(
PRESENT
(
kveclo
))
kveclo
=
d
%
eig_int
(
4+3
*
d
%
nmat
:
3+3
*
d
%
nmat
+
SIZE
(
kveclo
),
nrec
)
...
...
io/xmlOutput.F90
View file @
2c2994a0
...
...
@@ -381,7 +381,7 @@ MODULE m_xmlOutput
IMPLICIT
NONE
CHARACTER
(
LEN
=
30
),
INTENT
(
IN
)
::
contentList
(:)
CHARACTER
(
LEN
=
*
),
INTENT
(
IN
)
::
contentList
(:)
CHARACTER
(
LEN
=
200
),
INTENT
(
INOUT
)
::
contentLineList
(:)
INTEGER
,
INTENT
(
IN
)
::
contentLineLength
INTEGER
::
i
,
j
...
...
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