From bcab6e829a6785d1739dcfcf0bd3b34f666e1a8b Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 12 Feb 2013 23:14:13 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9458 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-MISC/compute_temp_rotate.cpp | 9 +++++++-- src/USER-MISC/compute_temp_rotate.h | 1 + 2 files changed, 8 insertions(+), 2 deletions(-) diff --git a/src/USER-MISC/compute_temp_rotate.cpp b/src/USER-MISC/compute_temp_rotate.cpp index af5da2ee08..4c0d56d11f 100644 --- a/src/USER-MISC/compute_temp_rotate.cpp +++ b/src/USER-MISC/compute_temp_rotate.cpp @@ -62,13 +62,18 @@ ComputeTempRotate::~ComputeTempRotate() /* ---------------------------------------------------------------------- */ void ComputeTempRotate::init() +{ + masstotal = group->mass(igroup); +} + +/* ---------------------------------------------------------------------- */ + +void ComputeTempRotate::setup() { fix_dof = 0; for (int i = 0; i < modify->nfix; i++) fix_dof += modify->fix[i]->dof(igroup); dof_compute(); - - masstotal = group->mass(igroup); } /* ---------------------------------------------------------------------- */ diff --git a/src/USER-MISC/compute_temp_rotate.h b/src/USER-MISC/compute_temp_rotate.h index 8944f986be..6dd43e356b 100644 --- a/src/USER-MISC/compute_temp_rotate.h +++ b/src/USER-MISC/compute_temp_rotate.h @@ -29,6 +29,7 @@ class ComputeTempRotate : public Compute { ComputeTempRotate(class LAMMPS *, int, char **); ~ComputeTempRotate(); void init(); + void setup(); double compute_scalar(); void compute_vector();