From 11d2b488c1ae18d3d2aaf83ed49025c4b4a0f174 Mon Sep 17 00:00:00 2001 From: Stephen Sanderson Date: Tue, 16 Mar 2021 16:51:10 +1000 Subject: [PATCH] Fixed incorrect scaling of cdof for 'norm all' --- src/fix_ave_chunk.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index 3b612aeb73..359e3ba588 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -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];