torchmodel.h File Reference

#include <torch/cuda.h>
#include <torch/script.h>
#include <torch/torch.h>
#include <string>
#include "gromacs/applied_forces/nnpot/nnpotmodel.h"

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Description

Declares a wrapper class for a TorchScript-compiled neural network model.

Author

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

Classes
class	gmx::TorchModel
	Class responsible for loading and evaluating a TorchScript-compiled neural network model. Inherits from NNPotModel. More...

Variables
static constexpr auto	gmx::torchRealType = GMX_DOUBLE ? torch::kFloat64 : torch::kFloat32
	Define the torch datatype according to GMX_DOUBLE. More...