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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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13
src/fix_wall.cpp
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@ -24,12 +24,13 @@
#include "modify.h"
#include "respa.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
using namespace FixConst;
enum{XLO,XHI,YLO,YHI,ZLO,ZHI};
enum{EDGE,CONSTANT,VARIABLE};
enum{XLO=0,XHI=1,YLO=2,YHI=3,ZLO=4,ZHI=5};
enum{NONE=0,EDGE,CONSTANT,VARIABLE};
/* ---------------------------------------------------------------------- */
@ -84,7 +85,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
strcpy(xstr[nwall],&arg[iarg+1][2]);
} else {
xstyle[nwall] = CONSTANT;
coord0[nwall] = atof(arg[iarg+1]);
coord0[nwall] = force->numeric(FLERR,arg[iarg+1]);
}
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
@ -93,7 +94,7 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
strcpy(estr[nwall],&arg[iarg+2][2]);
estyle[nwall] = VARIABLE;
} else {
epsilon[nwall] = atof(arg[iarg+2]);
epsilon[nwall] = force->numeric(FLERR,arg[iarg+2]);
estyle[nwall] = CONSTANT;
}
@ -103,11 +104,11 @@ FixWall::FixWall(LAMMPS *lmp, int narg, char **arg) :
strcpy(sstr[nwall],&arg[iarg+3][2]);
sstyle[nwall] = VARIABLE;
} else {
sigma[nwall] = atof(arg[iarg+3]);
sigma[nwall] = force->numeric(FLERR,arg[iarg+3]);
sstyle[nwall] = CONSTANT;
}
cutoff[nwall] = atof(arg[iarg+4]);
cutoff[nwall] = force->numeric(FLERR,arg[iarg+4]);
nwall++;
iarg += 5;