| # | Line 184 | Line 184 | program nano | |
|---|---|---|
| 184 | #endif | |
| 185 | ||
| 186 | ||
| 187 | < | if(checktemp.or.(ensemble == 'NVT')) then |
| 187 | > | if(command == 'setup') then |
| 188 | call randomize_velocities(target_temp) | |
| 189 | end if | |
| 190 | ||
| 191 | ||
| 192 | + | |
| 193 | call run_dynamics() | |
| 194 | ||
| 195 | call write_final_config() | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |