Scripted

https://docs.lammps.org/Python_module.html

I’m not sure whether the Python API can replace the writing of an input script.

https://opencode.ai/docs

Use Cases

DAMASK

DAMASK has a Python-based library for pre- and post-processing. It currently supports - Material configuration: General layout - Load case for the grid solver: General layout - Lacks support for - MSC.Marc input deck (combined geometry and load case) - Load case for the mesh solver - Geometry for the mesh solver

Constitutive Models

The documentation for constitutive models is fragmented: - The physics are documented in scientific publications (some beyond a paywall) - Parameter names are documented in source code (Fortran) - Example files for specific materials are provided (in YAML format)

Crystallographic Texture

Example files for materials under different conditions can be provided, but variations are not trivial. An approach that might be more ammendable is the use of texture components.

LAMMPS

LAMMPS is configured with a single confiuration file.