Testing simplemd
The tests described in the following table were performed on January 14, 2025 to test whether the interface between simplemd and the master version of PLUMED is working correctly.
| Description of test | Status |
|---|---|
| MD code number of atoms passed correctly |  |
| MD code positions passed correctly | |
| MD code cell vectors passed correctly | |
| MD timestep passed correctly | |
| MD code masses passed correctly | |
| PLUMED forces passed correctly |  |
| MD code potential energy passed correctly | |
| PLUMED forces on potential energy passed correctly | |