git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11880 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-05-02 15:03:34 +00:00
parent eddd7b148f
commit c1eedcacfd
4 changed files with 11 additions and 0 deletions

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@ -102,6 +102,7 @@ class Compute : protected Pointers {
virtual int pack_reverse_comm(int, int, double *) {return 0;}
virtual void unpack_reverse_comm(int, int *, double *) {}
virtual void dof_remove_pre() {}
virtual int dof_remove(int) {return 0;}
virtual void remove_bias(int, double *) {}
virtual void remove_bias_all() {}

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@ -80,6 +80,13 @@ void ComputeTempRegion::setup()
/* ---------------------------------------------------------------------- */
void ComputeTempRegion::dof_remove_pre()
{
domain->regions[iregion]->prematch();
}
/* ---------------------------------------------------------------------- */
int ComputeTempRegion::dof_remove(int i)
{
double *x = atom->x[i];

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@ -33,6 +33,7 @@ class ComputeTempRegion : public Compute {
virtual double compute_scalar();
virtual void compute_vector();
void dof_remove_pre();
int dof_remove(int);
void remove_bias(int, double *);
void remove_bias_all();

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@ -169,6 +169,8 @@ void ComputeTempSphere::dof_compute()
int *mask = atom->mask;
int nlocal = atom->nlocal;
tbias->dof_remove_pre();
count = 0;
if (domain->dimension == 3) {
for (int i = 0; i < nlocal; i++)