Jumos.jl
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Thermostating and barostating
Another meta-issue about thermostating and barostating the system. There are two ways to do this :
Enforcing the parameters after the integration
This can be done by modifying the current frame after the integration has been performed
- [x] Velocity rescaling thermostat
- [ ] Andersen thermostat
- [x] Berendsen thermostat
Using a custom integrator
- [ ] Berendsen barostat
- [ ] Nose-Hoover barostat/thermostat
- [ ] Chains of Nose-Hoover barostat/thermostat