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MRMD 0.4.0
Multi Resolution Molecular Dynamics
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Classes | |
| class | CappedLennardJonesPotential |
| class | Coulomb |
| class | CoulombDSF |
| Implements the Coulomb potential with the Damped Shifted Force (DSF) method. More... | |
| struct | Energy |
| class | Shake |
| SHAKE algorithm (DOI: 10.1016/0021-9991(77)90098-5) RATTLE algorithm (DOI: 10.1016/0021-9991(83)90014-1) More... | |