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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-11 22:20:11 +00:00
parent 3b6a3f4e55
commit 762f48e528
3 changed files with 296 additions and 79 deletions
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15
src/fix_ave_chunk.cpp
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@ -830,13 +830,20 @@ void FixAveChunk::end_of_step()
}
// DENSITYs are additionally normalized by chunk volume
// only relevant if chunks are spatial bins
// use scalar or vector values for volume(s)
// if chunks are not spatial bins, chunk_volume_scalar = 1.0
for (j = 0; j < nvalues; j++)
if (which[j] == DENSITY_NUMBER || which[j] == DENSITY_MASS) {
double chunk_volume = cchunk->chunk_volume_scalar;
for (m = 0; m < nchunk; m++)
values_sum[m][j] /= chunk_volume;
if (cchunk->chunk_volume_vec) {
double *chunk_volume_vec = cchunk->chunk_volume_vec;
for (m = 0; m < nchunk; m++)
values_sum[m][j] /= chunk_volume_vec[m];
} else {
double chunk_volume_scalar = cchunk->chunk_volume_scalar;
for (m = 0; m < nchunk; m++)
values_sum[m][j] /= chunk_volume_scalar;
}
}
// if ave = ONE, only single Nfreq timestep value is needed