PND Member List

This is the complete list of members for PND, including all inherited members.

defineParams(int numberOfAtoms)	PND
Loss(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, torch::Tensor totalEnergy, torch::Tensor kineticEnergy, torch::Tensor potentialEnergy, int n, int Np, int d)	PND	virtual
LossPreTrain(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, int n, int Np, int d)	PND
mainTrain(torch::Tensor params, torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, int num_epochs, torch::Tensor totalEnergy, torch::Tensor kineticEnergy, torch::Tensor potentialEnergy, int n, int Np, int d, double learn_rate=0.0001, double momentum=0.99)	PND	virtual
MainTrainEpochs (defined in PND)	PND
nodes (defined in PND)	PND
params (defined in PND)	PND
PND()	PND
PreTrain(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, int num_epochs, int n, int Np, int d, double learn_rate=0.001, double momentum=0.99)	PND
PreTrainEpochs (defined in PND)	PND
StepTrain (defined in PND)	PND
UpdateParamsNADAM(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, torch::Tensor velocities, torch::Tensor S, torch::Tensor totalEnergy, torch::Tensor kineticEnergy, torch::Tensor potentialEnergy, int epoch, int n, int Np, int d, double alpha, double epsilon, torch::Tensor beta)	PND	virtual
UpdatePreParamsNADAM(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, torch::Tensor velocities, torch::Tensor S, int epoch, int n, int Np, int d, double alpha=0.001, double epsilon=pow(10, -7), torch::Tensor beta=torch::tensor({0.999, 0.999}))	PND