Open Luthaf opened 9 years ago
Another meta-issue about thermostating and barostating the system. There are two ways to do this :
This can be done by modifying the current frame after the integration has been performed
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
Using a custom integrator