Commit 903ddfe4 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1657 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 2e8b9cf4

src/ASPHERE/compute_temp_asphere.cpp

+2 −1
Original line number Diff line number Diff line
@@ -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;

src/compute_temp.cpp

+1 −1
Original line number Diff line number Diff line
@@ -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];

}

src/compute_temp_partial.cpp

+3 −1
Original line number Diff line number Diff line
@@ -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);

}



/* ---------------------------------------------------------------------- */

src/compute_temp_sphere.cpp

+1 −1
Original line number Diff line number Diff line
@@ -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;

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