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fleur
fleur
Commits
14346a90
Commit
14346a90
authored
Jul 15, 2019
by
Matthias Redies
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Plain Diff
redo stuff for .f-files
parent
0ba38f36
Changes
4
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4 changed files
with
5 additions
and
5 deletions
+5
-5
kpoints/kprep.f
kpoints/kprep.f
+1
-1
kpoints/kptgen_hybrid.f
kpoints/kptgen_hybrid.f
+1
-1
kpoints/ordstar.f
kpoints/ordstar.f
+1
-1
kpoints/tetcon.f
kpoints/tetcon.f
+2
-2
No files found.
kpoints/kprep.f
View file @
14346a90
...
...
@@ -83,7 +83,7 @@ C ---> save and data statements
c
save
one
,
zero
,
half
,
eps
,
eps1
data
zero
/
0.0
/,
one
/
1.0
/,
half
/
0.5
/,
+
eps
/
1
.0
*
10.0
**
-8
/,
eps1
/
1.0
*
10.0
**
-5
/
+
eps
/
1
e-8
/,
eps1
/
1e
-5
/
c
c
-----------------------------------------------------------------------
if
(
kpri
.ge.
3
)
then
...
...
kpoints/kptgen_hybrid.f
View file @
14346a90
...
...
@@ -96,7 +96,7 @@
IF
(
all
(
matmul
(
rot
(:,:,
i
),
rot
(:,:,
j
))
&
.eq.
reshape
((/
1
,
0
,
0
,
0
,
1
,
0
,
0
,
0
,
1
/),(/
3
,
3
/)))
&
.and.
all
(
modulo
(
matmul
(
rot
(:,:,
i
),
rtau
(:,
j
))
+
rtau
(:,
i
),
1.0
)
&
.lt.
1
0.0
**
-10
)
)
THEN
&
.lt.
1
e
-10
)
)
THEN
IF
(
invtab
(
i
)
.ne.
0
)
STOP
'kptgen: inverse operation
& & already defined.'
invtab
(
i
)
=
j
...
...
kpoints/ordstar.f
View file @
14346a90
...
...
@@ -109,7 +109,7 @@ C ---> save and data statements
c
save
one
,
zero
,
half
,
eps
,
eps1
,
iplus
,
iminus
data
zero
/
0.0
/,
one
/
1.0
/,
half
/
0.5
/,
+
eps
/
1
.0
*
10.0
**
-8
/,
eps1
/
1.0
*
10.0
**
-5
/,
iplus
/
1
/,
iminus
/
-1
/
+
eps
/
1
e-8
/,
eps1
/
1e
-5
/,
iplus
/
1
/,
iminus
/
-1
/
c
c
-----------------------------------------------------------------------
c
...
...
kpoints/tetcon.f
View file @
14346a90
...
...
@@ -43,8 +43,8 @@ C Fred Hutson
C
C
*************************************************************************
C
data
eps
/
1
0.0
**
-10
/
data
eps1
/
1
0.0
**
-5
/
data
eps
/
1
e
-10
/
data
eps1
/
1
e
-5
/
pi
=
4.0
*
atan
(
1.0
)
C
C
CONSTRUCT
THE
FIRST
TETRAHEDRON
...
...
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