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This commit is contained in:
Axel Kohlmeyer
2018-03-16 12:28:13 -04:00
parent fc3de22c17
commit ee862d8bf5
243 changed files with 13704 additions and 13704 deletions
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26
src/fix_ave_chunk.cpp
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@ -176,14 +176,14 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg],"norm") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix ave/chunk command");
if (strcmp(arg[iarg+1],"all") == 0) {
normflag = ALL;
scaleflag = ATOM;
normflag = ALL;
scaleflag = ATOM;
} else if (strcmp(arg[iarg+1],"sample") == 0) {
normflag = SAMPLE;
scaleflag = ATOM;
normflag = SAMPLE;
scaleflag = ATOM;
} else if (strcmp(arg[iarg+1],"none") == 0) {
normflag = SAMPLE;
scaleflag = NOSCALE;
normflag = SAMPLE;
scaleflag = NOSCALE;
} else error->all(FLERR,"Illegal fix ave/chunk command");
iarg += 2;
} else if (strcmp(arg[iarg],"ave") == 0) {
@ -686,16 +686,16 @@ void FixAveChunk::end_of_step()
double *rmass = atom->rmass;
if (rmass) {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && ichunk[i] > 0) {
index = ichunk[i]-1;
values_one[index][m] += rmass[i];
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && ichunk[i] > 0) {
index = ichunk[i]-1;
values_one[index][m] += rmass[i];
}
} else {
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && ichunk[i] > 0) {
index = ichunk[i]-1;
values_one[index][m] += mass[type[i]];
if (mask[i] & groupbit && ichunk[i] > 0) {
index = ichunk[i]-1;
values_one[index][m] += mass[type[i]];
}
}