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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1657 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-03-21 00:34:03 +00:00
parent 2e8b9cf4b4
commit 903ddfe4a0
4 changed files with 7 additions and 4 deletions
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3
src/ASPHERE/compute_temp_asphere.cpp
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@ -37,7 +37,7 @@ using namespace LAMMPS_NS;
ComputeTempAsphere::ComputeTempAsphere(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg != 3 || narg != 4)
if (narg != 3 && narg != 4)
error->all("Illegal compute temp/asphere command");
if (!atom->quat_flag || !atom->angmom_flag)
@ -88,6 +88,7 @@ void ComputeTempAsphere::init()
error->all("Bias compute group does not match compute group");
tbias->init();
if (strcmp(tbias->style,"temp/region") == 0) tempbias = 2;
else tempbias = 1;
}
fix_dof = 0;

2
src/compute_temp.cpp
View File

@ -12,6 +12,7 @@
------------------------------------------------------------------------- */
#include "mpi.h"
#include "string.h"
#include "compute_temp.h"
#include "atom.h"
#include "force.h"
@ -38,7 +39,6 @@ ComputeTemp::ComputeTemp(LAMMPS *lmp, int narg, char **arg) :
extscalar = 0;
extvector = 1;
tempflag = 1;
tempbias = 0;
vector = new double[6];
}

4
src/compute_temp_partial.cpp
View File

@ -86,7 +86,9 @@ void ComputeTempPartial::dof_compute()
int ComputeTempPartial::dof_remove(int i)
{
return 0;
int nper = xflag+yflag+zflag;
if (domain->dimension == 2) nper = xflag+yflag;
return (domain->dimension - nper);
}
/* ---------------------------------------------------------------------- */

2
src/compute_temp_sphere.cpp
View File

@ -34,7 +34,7 @@ using namespace LAMMPS_NS;
ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
{
if (narg != 3 || narg != 4)
if (narg != 3 && narg != 4)
error->all("Illegal compute temp/sphere command");
scalar_flag = vector_flag = 1;