git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2007-10-04 17:57:04 +00:00
parent ab2a54ab6a
commit aef3f32236
145 changed files with 401 additions and 442 deletions

View File

@ -540,9 +540,38 @@ void PairHybrid::modify_params(int narg, char **arg)
memory usage of each sub-style
------------------------------------------------------------------------- */
int PairHybrid::memory_usage()
double PairHybrid::memory_usage()
{
int bytes = 0;
double bytes = 0.0;
for (int m = 0; m < nstyles; m++) bytes += styles[m]->memory_usage();
return bytes;
}
/* ----------------------------------------------------------------------
extract a ptr to a particular quantity stored by pair
pass request thru to sub-styles
return first non-NULL result except for cut_coul request
for cut_coul, insure all non-NULL results are equal since required by Kspace
------------------------------------------------------------------------- */
void *PairHybrid::extract(char *str)
{
void *cutptr = NULL;
void *ptr;
double cutvalue;
for (int m = 0; m < nstyles; m++) {
ptr = styles[m]->extract(str);
if (ptr && strcmp(str,"cut_coul") == 0) {
double *p_newvalue = (double *) ptr;
double newvalue = *p_newvalue;
if (cutptr && newvalue != cutvalue)
error->all("Coulomb cutoffs of pair hybrid sub-styles do not match");
cutptr = ptr;
cutvalue = newvalue;
} else if (ptr) return ptr;
}
if (strcmp(str,"cut_coul") == 0) return cutptr;
return NULL;
}