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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-27 20:02:55 +00:00
parent 0d6f0c69fd
commit 2dbe3f80a2
121 changed files with 588 additions and 585 deletions
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18
src/fix_restrain.cpp
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@ -78,9 +78,9 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
rstyle[nrestrain] = BOND;
ids[nrestrain][0] = atoi(arg[iarg+1]);
ids[nrestrain][1] = atoi(arg[iarg+2]);
kstart[nrestrain] = force->numeric(arg[iarg+3]);
kstop[nrestrain] = force->numeric(arg[iarg+4]);
target[nrestrain] = force->numeric(arg[iarg+5]);
kstart[nrestrain] = force->numeric(FLERR,arg[iarg+3]);
kstop[nrestrain] = force->numeric(FLERR,arg[iarg+4]);
target[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
iarg += 6;
} else if (strcmp(arg[iarg],"angle") == 0) {
if (iarg+7 > narg) error->all(FLERR,"Illegal fix restrain command");
@ -88,9 +88,9 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
ids[nrestrain][0] = atoi(arg[iarg+1]);
ids[nrestrain][1] = atoi(arg[iarg+2]);
ids[nrestrain][2] = atoi(arg[iarg+3]);
kstart[nrestrain] = force->numeric(arg[iarg+4]);
kstop[nrestrain] = force->numeric(arg[iarg+5]);
target[nrestrain] = force->numeric(arg[iarg+6]);
kstart[nrestrain] = force->numeric(FLERR,arg[iarg+4]);
kstop[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
target[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
target[nrestrain] *= MY_PI / 180.0;
iarg += 7;
} else if (strcmp(arg[iarg],"dihedral") == 0) {
@ -100,9 +100,9 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
ids[nrestrain][1] = atoi(arg[iarg+2]);
ids[nrestrain][2] = atoi(arg[iarg+3]);
ids[nrestrain][3] = atoi(arg[iarg+4]);
kstart[nrestrain] = force->numeric(arg[iarg+5]);
kstop[nrestrain] = force->numeric(arg[iarg+6]);
target[nrestrain] = force->numeric(arg[iarg+7]);
kstart[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
kstop[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
target[nrestrain] = force->numeric(FLERR,arg[iarg+7]);
target[nrestrain] *= MY_PI / 180.0;
cos_target[nrestrain] = cos(target[nrestrain]);
sin_target[nrestrain] = sin(target[nrestrain]);