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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-03-31 18:47:58 +00:00
parent cfc5c8b277
commit 269bff4b14
11 changed files with 33 additions and 62 deletions
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4
src/compute_temp_sphere.cpp
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@ -124,7 +124,7 @@ void ComputeTempSphere::dof_compute()
{
int count,count_all;
fix_dof = modify->adjust_dof_fix(igroup);
adjust_dof_fix();
// 6 or 3 dof for extended/point particles for 3d
// 3 or 2 dof for extended/point particles for 2d
@ -252,7 +252,7 @@ double ComputeTempSphere::compute_scalar()
MPI_Allreduce(&t,&scalar,1,MPI_DOUBLE,MPI_SUM,world);
if (dynamic || tempbias == 2) dof_compute();
if (tfactor == 0.0 && scalar != 0.0)
if (tfactor == 0.0 && atom->natoms != 0)
error->all(FLERR,"Temperature compute degrees of freedom < 0");
scalar *= tfactor;
return scalar;