ToDo

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Prokop edited this page Apr 16, 2023 · 3 revisions

Refactor Atomic System:
- Mostly Done
AtomType assignment:
- Partially Done
Fit non-covalent parameters:
- Fitting engine created, Fitting yet to be done
Multiple instances of atomic system in single GPU run:
- Almost Done
Interaction between molecular poses
FireBall QM/QM with multiple classes
Fireball GPU