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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14360 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-11 23:29:44 +00:00
parent 921bcfb12d
commit aecaf0bf52
2 changed files with 8 additions and 8 deletions
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12
src/compute_chunk_atom.cpp
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@ -133,6 +133,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
corigin_user[cdim2] = force->numeric(FLERR,arg[iarg+1]);
cradmin_user = force->numeric(FLERR,arg[iarg+2]);
cradmax_user = force->numeric(FLERR,arg[iarg+3]);
ncbin = force->inumeric(FLERR,arg[iarg+4]);
iarg += 5;
@ -423,8 +424,8 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
} else {
corigin_user[cdim1] *= xscale;
corigin_user[cdim2] *= yscale;
cradmin_user *= zscale;
cradmax_user *= zscale;
cradmin_user *= xscale;
cradmax_user *= xscale;
}
}
}
@ -1320,10 +1321,9 @@ int ComputeChunkAtom::setup_cylinder_bins()
// lamda2x works for either orthogonal or triclinic
if (scaleflag == REDUCED) {
corigin_user[dim[0]] = 0.5; // unused 3rd coord for axis dim
domain->lamda2x(corigin_user,corigin);
cradmin = sradmin_user * (domain->boxhi[cdim1]-domain->boxlo[cdim1]);
cradmax = sradmax_user * (domain->boxhi[cdim1]-domain->boxlo[cdim1]);
cradmin = cradmin_user * (domain->boxhi[cdim1]-domain->boxlo[cdim1]);
cradmax = cradmax_user * (domain->boxhi[cdim1]-domain->boxlo[cdim1]);
} else {
corigin[cdim1] = corigin_user[cdim1];
corigin[cdim2] = corigin_user[cdim2];
@ -1408,7 +1408,7 @@ void ComputeChunkAtom::bin_volumes()
if (scaleflag == REDUCED) prd = domain->prd_lamda;
else prd = domain->prd;
double slabthick = domain->prd[dim[0]] * delta[0]/prd[dim[0]];
// area lo/hi of concentric circles in radial direction
int iradbin;