Decouple building the force providers from the force calculations
In the current design, the force provider intialization does not provide information and cr and mdatoms are only passed in calculateForces.
Instead it would be useful to have a separate building stage where there is a point for MdModules to build their own parameters.
When intializing or applying IForceProvider now from MdModuel, LocalAtomSet information is missing, but mdModules should be able to add localAtomSets in their initial setup phase that then are managed elsewhere.
This setup would also avoid having to use : if (firstCallToForceProvider) ... logic and a misuse of calculateForces routines for MdModuels that will not calculate forces.