TransientDriver.h

// Copyright 2024, UChicago Argonne, LLC
// All Rights Reserved
// Software Name: NEML2 -- the New Engineering material Model Library, version 2
// By: Argonne National Laboratory
// OPEN SOURCE LICENSE (MIT)
//
// Permission is hereby granted, free of charge, to any person obtaining a copy
// of this software and associated documentation files (the "Software"), to deal
// in the Software without restriction, including without limitation the rights
// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
// copies of the Software, and to permit persons to whom the Software is
// furnished to do so, subject to the following conditions:
//
// The above copyright notice and this permission notice shall be included in
// all copies or substantial portions of the Software.
//
// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
// FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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// THE SOFTWARE.
 
#pragma once
 
#include "neml2/drivers/Driver.h"
#include "neml2/tensors/tensors.h"
 
#include <filesystem>
#include <torch/nn/modules/container/moduledict.h>
#include <torch/serialize.h>
 
namespace neml2
{
class TransientDriver : public Driver
{
public:
  static OptionSet expected_options();
 
  TransientDriver(const OptionSet & options);
 
  virtual void diagnose(std::vector<Diagnosis> &) const override;
 
  bool run() override;
 
  const Model & model() const { return _model; }
 
  virtual std::string save_as_path() const;
 
  virtual torch::nn::ModuleDict result() const;
 
protected:
  virtual bool solve();
 
  // @{ Routines that are called every step
  virtual void advance_step();
  virtual void update_forces();
  virtual void apply_ic();
  virtual void apply_predictor();
  virtual void solve_step();
  virtual void store_input();
  virtual void store_output();
  // @}
 
  virtual void output() const;
 
  const bool _enable_AD;
  Model & _model;
  const torch::Device _device;
 
  Scalar _time;
  Size _step_count;
  VariableName _time_name;
  Size _nsteps;
  Size _nbatch;
  LabeledVector & _in;
  LabeledVector & _out;
 
  std::string _predictor;
  std::string _save_as;
  const bool _show_params;
  const bool _show_input;
  const bool _show_output;
 
  LabeledVector _result_in;
  LabeledVector _result_out;
 
  std::vector<VariableName> _ic_scalar_names;
  std::vector<CrossRef<Scalar>> _ic_scalar_values;
  std::vector<VariableName> _ic_rot_names;
  std::vector<CrossRef<Rot>> _ic_rot_values;
  std::vector<VariableName> _ic_sr2_names;
  std::vector<CrossRef<SR2>> _ic_sr2_values;
 
  Real _cp_elastic_scale;
 
private:
  void output_pt(const std::filesystem::path & out) const;
 
  template <typename T>
  void set_IC(const std::vector<VariableName> & ic_names,
              const std::vector<CrossRef<T>> & ic_values)
  {
    for (size_t i = 0; i < ic_names.size(); i++)
      _out.base_index_put_(ic_names[i], T(ic_values[i]));
  }
};
} // namespace neml2