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incorporate bugfix and cleanup from lammps-icms and upstream

This commit is contained in:
Axel Kohlmeyer 2016-08-28 06:52:03 -04:00
parent bb721db8de
commit e1045851c0
1 changed files with 7 additions and 5 deletions
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12
src/USER-MISC/fix_flow_gauss.cpp
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@ -9,10 +9,12 @@
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing authors: Steven E. Strong and Joel D. Eaves
Joel.Eaves@Colorado.edu
------------------------------------------------------------------------- */
------------------------------------------------------------------------- */
#include <stdlib.h>
#include <string.h>
@ -45,7 +47,8 @@ static const char cite_flow_gauss[] =
"pages = {1907--1912}\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);
@ -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");
}
//by default, do not compute work done
// by default, do not compute work done
workflag=0;
// process optional keyword
@ -83,7 +86,7 @@ FixFlowGauss::FixFlowGauss(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, a
if ( strcmp(arg[iarg],"energy") == 0 ) {
if ( iarg+2 > narg ) error->all(FLERR,"Illegal energy keyword");
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;
} else error->all(FLERR,"Illegal fix flow/gauss command");
}
@ -132,7 +135,6 @@ void FixFlowGauss::setup(int vflag)
void FixFlowGauss::post_force(int vflag)
{
double **f = atom->f;
double **x = atom->x;
double **v = atom->v;
int *mask = atom->mask;