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multiscale
lammps
Commits
e1045851
Commit
e1045851
authored
8 years ago
by
Axel Kohlmeyer
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incorporate bugfix and cleanup from lammps-icms and upstream
parent
bb721db8
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1
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1 changed file
src/USER-MISC/fix_flow_gauss.cpp
+7
-5
7 additions, 5 deletions
src/USER-MISC/fix_flow_gauss.cpp
with
7 additions
and
5 deletions
src/USER-MISC/fix_flow_gauss.cpp
+
7
−
5
View file @
e1045851
...
@@ -9,10 +9,12 @@
...
@@ -9,10 +9,12 @@
the GNU General Public License.
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Steven E. Strong and Joel D. Eaves
Contributing authors: Steven E. Strong and Joel D. Eaves
Joel.Eaves@Colorado.edu
Joel.Eaves@Colorado.edu
------------------------------------------------------------------------- */
------------------------------------------------------------------------- */
#include
<stdlib.h>
#include
<stdlib.h>
#include
<string.h>
#include
<string.h>
...
@@ -45,7 +47,8 @@ static const char cite_flow_gauss[] =
...
@@ -45,7 +47,8 @@ static const char cite_flow_gauss[] =
"pages = {1907--1912}
\n
"
"pages = {1907--1912}
\n
"
"}
\n\n
"
;
"}
\n\n
"
;
FixFlowGauss
::
FixFlowGauss
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
Fix
(
lmp
,
narg
,
arg
)
FixFlowGauss
::
FixFlowGauss
(
LAMMPS
*
lmp
,
int
narg
,
char
**
arg
)
:
Fix
(
lmp
,
narg
,
arg
)
{
{
if
(
lmp
->
citeme
)
lmp
->
citeme
->
add
(
cite_flow_gauss
);
if
(
lmp
->
citeme
)
lmp
->
citeme
->
add
(
cite_flow_gauss
);
...
@@ -74,7 +77,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, a
...
@@ -74,7 +77,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, a
error
->
all
(
FLERR
,
"Constraint flags must be 1 or 0"
);
error
->
all
(
FLERR
,
"Constraint flags must be 1 or 0"
);
}
}
//by default, do not compute work done
//
by default, do not compute work done
workflag
=
0
;
workflag
=
0
;
// process optional keyword
// process optional keyword
...
@@ -83,7 +86,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, a
...
@@ -83,7 +86,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, a
if
(
strcmp
(
arg
[
iarg
],
"energy"
)
==
0
)
{
if
(
strcmp
(
arg
[
iarg
],
"energy"
)
==
0
)
{
if
(
iarg
+
2
>
narg
)
error
->
all
(
FLERR
,
"Illegal energy keyword"
);
if
(
iarg
+
2
>
narg
)
error
->
all
(
FLERR
,
"Illegal energy keyword"
);
if
(
strcmp
(
arg
[
iarg
+
1
],
"yes"
)
==
0
)
workflag
=
1
;
if
(
strcmp
(
arg
[
iarg
+
1
],
"yes"
)
==
0
)
workflag
=
1
;
else
if
(
strcmp
(
arg
[
iarg
+
1
],
"no"
)
=
=
1
)
error
->
all
(
FLERR
,
"Illegal energy keyword"
);
else
if
(
strcmp
(
arg
[
iarg
+
1
],
"no"
)
!
=
0
)
error
->
all
(
FLERR
,
"Illegal energy keyword"
);
iarg
+=
2
;
iarg
+=
2
;
}
else
error
->
all
(
FLERR
,
"Illegal fix flow/gauss command"
);
}
else
error
->
all
(
FLERR
,
"Illegal fix flow/gauss command"
);
}
}
...
@@ -132,7 +135,6 @@ void FixFlowGauss::setup(int vflag)
...
@@ -132,7 +135,6 @@ void FixFlowGauss::setup(int vflag)
void
FixFlowGauss
::
post_force
(
int
vflag
)
void
FixFlowGauss
::
post_force
(
int
vflag
)
{
{
double
**
f
=
atom
->
f
;
double
**
f
=
atom
->
f
;
double
**
x
=
atom
->
x
;
double
**
v
=
atom
->
v
;
double
**
v
=
atom
->
v
;
int
*
mask
=
atom
->
mask
;
int
*
mask
=
atom
->
mask
;
...
...
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