nnpotmodel.h File Reference

#include "gromacs/math/vectypes.h"
#include "gromacs/utility/arrayref.h"

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Description

Declares an abstract wrapper class for a neural network model to predict energies/forces.

Author

Lukas Müllender lukas.nosp@m..mue.nosp@m.llend.nosp@m.er@g.nosp@m.mail..nosp@m.com

Classes
class	gmx::INNPotModel
	NNPot Module. More...