Public Member Functions | |
void | setup (double, int) |
double | temperature (Atom &) |
double | energy (Atom &, Neighbor &, Force &) |
double | pressure (double, Atom &) |
void | compute (int, Atom &, Neighbor &, Force &) |
Data Fields | |
int | nstat |
int | mstat |
int | ntimes |
int * | steparr |
double * | tmparr |
double * | engarr |
double * | prsarr |