Testing simplemd
The tests described in the following tables were performed on June 15, 2025 to test whether the interface between simplemd and the v2.10 version of PLUMED is working correctly.
WARNING: simplemd does not pass the virial to PLUMED and it is thus not possible to run NPT simulations with this code
Basic functionalities
| 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 |  |
Tests on energy
| Description of test | Status |
|---|---|
| MD code potential energy passed correctly | |
| PLUMED forces on potential energy passed correctly | |