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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9458 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-02-12 23:14:13 +00:00
parent 97a23ad849
commit bcab6e829a
2 changed files with 8 additions and 2 deletions
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9
src/USER-MISC/compute_temp_rotate.cpp
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@ -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);
}
/* ---------------------------------------------------------------------- */

1
src/USER-MISC/compute_temp_rotate.h
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@ -29,6 +29,7 @@ class ComputeTempRotate : public Compute {
ComputeTempRotate(class LAMMPS *, int, char **);
~ComputeTempRotate();
void init();
void setup();
double compute_scalar();
void compute_vector();