We have to implement a possibility to load a configuration file (.gro in our case) to start from a previous step. This is in particular important if we want to start from an equilibrated state.
This may become relevant in terms of the magnetic particle simulator as a minimisation may be required to fix bad contacts in the initial condition.
We have to implement a possibility to load a configuration file (.gro in our case) to start from a previous step. This is in particular important if we want to start from an equilibrated state.
This may become relevant in terms of the magnetic particle simulator as a minimisation may be required to fix bad contacts in the initial condition.