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fleur
fleur
Commits
28715bf8
Commit
28715bf8
authored
May 18, 2017
by
Gregor Michalicek
1
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Set ctail to false and l_noco to true if qss is provided
parent
2db0d342
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2
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with
10 additions
and
8 deletions
+10
-8
inpgen/inpgen.f90
inpgen/inpgen.f90
+9
-7
inpgen/set_inp.f90
inpgen/set_inp.f90
+1
-1
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inpgen/inpgen.f90
View file @
28715bf8
...
...
@@ -48,12 +48,12 @@ PROGRAM inpgen
CHARACTER
(
len
=
7
)
::
symfn
CHARACTER
(
len
=
4
)
::
dispfn
TYPE
(
t_input
)
::
input
TYPE
(
t_atoms
)
::
atoms
TYPE
(
t_cell
)
::
cell
TYPE
(
t_sym
)
::
sym
TYPE
(
t_noco
)
::
noco
TYPE
(
t_vacuum
)
::
vacuum
TYPE
(
t_input
)
::
input
TYPE
(
t_atoms
)
::
atoms
TYPE
(
t_cell
)
::
cell
TYPE
(
t_sym
)
::
sym
TYPE
(
t_noco
)
::
noco
TYPE
(
t_vacuum
)
::
vacuum
CALL
inpgen_help
()
...
...
@@ -70,7 +70,7 @@ PROGRAM inpgen
bfh
=
93
input
%
l_inpXML
=
.FALSE.
input
%
l_inpXML
=
.FALSE.
ALLOCATE
(
mmrot
(
3
,
3
,
nop48
),
ttr
(
3
,
nop48
)
)
ALLOCATE
(
atompos
(
3
,
natmax
),
atomid
(
natmax
)
)
...
...
@@ -79,6 +79,8 @@ PROGRAM inpgen
OPEN
(
6
,
file
=
'out'
,
form
=
'formatted'
,
status
=
'unknown'
)
OPEN
(
bfh
,
file
=
'bfh.txt'
,
form
=
'formatted'
,
status
=
'unknown'
)
noco
%
l_ss
=
.FALSE.
CALL
struct_input
(&
&
infh
,
errfh
,
warnfh
,
symfh
,
symfn
,
bfh
,&
&
natmax
,
nop48
,&
...
...
inpgen/set_inp.f90
View file @
28715bf8
...
...
@@ -380,7 +380,7 @@
ALLOCATE
(
Jij
%
alph1
(
atoms
%
ntype
),
Jij
%
l_magn
(
atoms
%
ntype
),
Jij
%
M
(
atoms
%
ntype
))
ALLOCATE
(
Jij
%
magtype
(
atoms
%
ntype
),
Jij
%
nmagtype
(
atoms
%
ntype
))
noco
%
l_ss
=
.FALSE.
IF
(
noco
%
l_ss
)
input
%
ctail
=
.FALSE.
noco
%
l_mperp
=
.FALSE.
noco
%
l_constr
=
.FALSE.
Jij
%
l_disp
=
.FALSE.
...
...
Gregor Michalicek
@micha
mentioned in issue
#92 (closed)
·
May 18, 2017
mentioned in issue
#92 (closed)
mentioned in issue #92
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