add support for USER-TALLY to pair styles hybrid and hybrid/overlay

This commit is contained in:
Axel Kohlmeyer 2017-04-20 14:42:01 -04:00
parent dfa9815246
commit f0681f7e12
3 changed files with 22 additions and 2 deletions

View File

@ -194,8 +194,8 @@ class Pair : protected Pointers {
int num_tally_compute;
class Compute **list_tally_compute;
public:
void add_tally_callback(class Compute *);
void del_tally_callback(class Compute *);
virtual void add_tally_callback(class Compute *);
virtual void del_tally_callback(class Compute *);
protected:
int instance_me; // which Pair class instantiation I am

View File

@ -169,6 +169,23 @@ void PairHybrid::compute(int eflag, int vflag)
if (vflag_fdotr) virial_fdotr_compute();
}
/* ---------------------------------------------------------------------- */
void PairHybrid::add_tally_callback(Compute *ptr)
{
for (int m = 0; m < nstyles; m++)
styles[m]->add_tally_callback(ptr);
}
/* ---------------------------------------------------------------------- */
void PairHybrid::del_tally_callback(Compute *ptr)
{
for (int m = 0; m < nstyles; m++)
styles[m]->del_tally_callback(ptr);
}
/* ---------------------------------------------------------------------- */
void PairHybrid::compute_inner()

View File

@ -55,6 +55,9 @@ class PairHybrid : public Pair {
int check_ijtype(int, int, char *);
virtual void add_tally_callback(class Compute *);
virtual void del_tally_callback(class Compute *);
protected:
int nstyles; // # of sub-styles
Pair **styles; // list of Pair style classes