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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-12-04 21:03:54 +00:00
parent 39edb1a6c2
commit 97cfbf8fb4
57 changed files with 272 additions and 232 deletions
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16
src/compute_reduce_region.cpp
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@ -87,16 +87,16 @@ double ComputeReduceRegion::compute_one(int m)
}
if (j == 0) {
double *compute_scalar = compute->scalar_atom;
double *compute_vector = compute->vector_atom;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]))
combine(one,compute_scalar[i]);
combine(one,compute_vector[i]);
} else {
double **compute_vector = compute->vector_atom;
double **compute_array = compute->array_atom;
int jm1 = j - 1;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]))
combine(one,compute_vector[i][jm1]);
combine(one,compute_array[i][jm1]);
}
// access fix fields, check if frequency is a match
@ -106,16 +106,16 @@ double ComputeReduceRegion::compute_one(int m)
error->all("Fix used in compute reduce not computed at compatible time");
if (j == 0) {
double *fix_scalar = modify->fix[n]->scalar_atom;
double *fix_vector = modify->fix[n]->vector_atom;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]))
combine(one,fix_scalar[i]);
combine(one,fix_vector[i]);
} else {
double **fix_vector = modify->fix[n]->vector_atom;
double **fix_array = modify->fix[n]->array_atom;
int jm1 = j - 1;
for (i = 0; i < nlocal; i++)
if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2]))
combine(one,fix_vector[i][jm1]);
combine(one,fix_array[i][jm1]);
}
// evaluate atom-style variable