gmx::TorchModel Member List

This is the complete list of members for gmx::TorchModel, including all inherited members.

evaluateModel() override	gmx::TorchModel	virtual
getOutputs(std::vector< int > &indices, gmx_enerdata_t &enerd, const ArrayRef< RVec > &forces) override	gmx::TorchModel	virtual
initModel() override	gmx::TorchModel	virtual
loadModelExtensions(std::string &extension_libs)	gmx::TorchModel
outputsForces() const override	gmx::TorchModel	virtual
prepareAtomNumbers(std::vector< int > &atomTypes) override (defined in gmx::TorchModel)	gmx::TorchModel	virtual
prepareAtomPositions(std::vector< RVec > &positions) override	gmx::TorchModel	virtual
prepareBox(matrix &box) override (defined in gmx::TorchModel)	gmx::TorchModel	virtual
preparePbcType(PbcType &pbcType) override (defined in gmx::TorchModel)	gmx::TorchModel	virtual
setCommRec(const t_commrec *cr) override	gmx::TorchModel	virtual
setDevice()	gmx::TorchModel
TorchModel(const std::string &filename, const MDLogger *logger)	gmx::TorchModel
~TorchModel() (defined in gmx::TorchModel)	gmx::TorchModel