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 |
1.7.1