PND
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This is the complete list of members for ScratchPad, including all inherited members.
checkPointState (defined in ScratchPad) | ScratchPad | |
defineParams(int numberOfAtoms) | PND | |
Loss(torch::Tensor t_seq, std::tuple< torch::Tensor, torch::Tensor, torch::Tensor, torch::Tensor > icfs, torch::Tensor H0, torch::Tensor kineticEnergy, torch::Tensor potentialEnergy, int n, int Np, int d) | ScratchPad | inlinevirtual |
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, double momentum) | ScratchPad | inlinevirtual |
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 | |
setCheckPoint(SubSystem checkPointState) (defined in ScratchPad) | ScratchPad | inline |
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) | ScratchPad | inlinevirtual |
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 |