Code structure

Following is the folder structure of the mechanoChemML library:

| mechanoChemML-master
| ├── docs
| │   ├── _build
| │   ├── figures
| │   ├── conf.py
| │   ├── *.rst
| │   └── Makefile
| ├── LICENSE
| ├── README.md
| ├── requirements.txt
| ├── mechanoChemML
| │   ├── src
| │   ├── testing
| │   ├── third_party
| │   └── workflows
| │       ├── active_learning
| │       ├── mr_learning
| │       ├── pde_solver
| │       └── systemID
| ├── examples
| │   ├── active_learning
| │   |   └── Example1_NiAl
| │   ├── mr_learning
| │   |   └── Example1_single_microstructure_dnn
| │   ├── pde_solver
| │   |   ├── Example1_diffusion_steady_state
| │   |   ├── Example2_linear_elasticity
| │   |   └── Example3_nonlinear_elasticity
| │   │── systemID
| │   |   ├── Example1_pattern_forming
| │   |   └── Example2_soft_materials
| │   │── non_local_calculus
| │   |   ├── Example1_Derivative_Calculation
| │   |   └── Example2_Allen_Cahn

In the folder structure above:

  • mechanoChemML-master is the folder we get when we issue a git pull/clone command
  • mechanoChemML-master/docs is the directory where our Sphinx documentation will reside
  • mechanoChemML-master/docs/_build being the Sphinx build directory. This folder is auto-generated for us by Sphinx.
  • mechanoChemML-master/mechanoChemML is the actual Python package directory, where our Python source files reside.
  • mechanoChemML-master/mechanoChemML/src is the directory, where the machine learning classes and functions reside.
  • mechanoChemML-master/mechanoChemML/testing is the directory, where the various testing functions reside.
  • mechanoChemML-master/mechanoChemML/third_party is the directory, where scripts to use third party libraries reside.
  • mechanoChemML-master/mechanoChemML/workflows is the directory, where the workflows reside.
  • mechanoChemML-master/mechanoChemML/workflows/active_learning is the directory, where the active learning workflows reside.
  • mechanoChemML-master/mechanoChemML/workflows/mr_learning is the directory, where the multi-resolution learning workflows reside.
  • mechanoChemML-master/mechanoChemML/workflows/pde_solver is the directory, where the NN-based PDE solver workflows reside.
  • mechanoChemML-master/mechanoChemML/workflows/systemID is the directory, where the system identification workflows reside.
  • mechanoChemML-master/examples/ is the directory, where the workflow examples reside.