Move the flag use_atomic_density_energy_formula
#611
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Side note, to clarify commit message: GPU usage has now also been tested |
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As detailed in #586, it makes sense to move the parameter
use_atomic_density_energy_formulafrom the descriptor subclass to theParametersobject itself. The idea here is that ideally, users can use models without having to worry about the subclasses at all; so the top-level parameters give access to all necessary acceleration options.The PR is backwards compatible, old models can be loaded without issue. Enabling GPU and LAMMPS at the same time will further automatically activate this function.