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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10300 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-07-23 16:13:20 +00:00
parent ffa635cb91
commit dda38788f7
11 changed files with 29 additions and 19 deletions
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8
src/fix_ave_spatial.cpp
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@ -75,7 +75,8 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg+1],"center") == 0) originflag[ndim] = CENTER;
else if (strcmp(arg[iarg+1],"upper") == 0) originflag[ndim] = UPPER;
else originflag[ndim] = COORD;
if (originflag[ndim] == COORD) origin[ndim] = force->numeric(FLERR,arg[iarg+1]);
if (originflag[ndim] == COORD)
origin[ndim] = force->numeric(FLERR,arg[iarg+1]);
delta[ndim] = force->numeric(FLERR,arg[iarg+2]);
ndim++;
@ -441,8 +442,9 @@ void FixAveSpatial::init()
// # of bins cannot vary for ave = RUNNING or WINDOW
if (ave == RUNNING || ave == WINDOW) {
if (scaleflag != REDUCED && domain->box_change)
error->all(FLERR,"Fix ave/spatial settings invalid with changing box");
if (scaleflag != REDUCED && domain->box_change_size)
error->all(FLERR,
"Fix ave/spatial settings invalid with changing box size");
}
// set indices and check validity of all computes,fixes,variables