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Fixed incorrect scaling of cdof for 'norm all'

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This commit is contained in:
Stephen Sanderson
2021-03-16 16:51:10 +10:00
parent 9efc83195a
commit 11d2b488c1
1 changed files with 1 additions and 1 deletions
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src/fix_ave_chunk.cpp
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@ -881,7 +881,7 @@ void FixAveChunk::end_of_step()
if (count_sum[m] > 0.0)
for (j = 0; j < nvalues; j++) {
if (which[j] == ArgInfo::TEMPERATURE) {
values_sum[m][j] *= mvv2e / ((cdof + adof*count_sum[m]) * boltz);
values_sum[m][j] *= mvv2e/((repeat*cdof + adof*count_sum[m])*boltz);
} else if (which[j] == ArgInfo::DENSITY_NUMBER) {
if (volflag == SCALAR) values_sum[m][j] /= chunk_volume_scalar;
else values_sum[m][j] /= chunk_volume_vec[m];