API reference

This reference is organized around the supported application boundary. The top-level vcsmd package re-exports the most common names from the modules below.

• Public simulation API
  • State and results
  • Evolution functions
• Configuration and normalized models
  • Unit-aware configuration
  • Enums and controller settings
  • Normalized model inputs
• Execution and run folders
  • RunStatus
  • RunReport
  • run()
  • resume()
• Native configuration and checkpoint I/O
  • Configuration mappings and files
  • Checkpoints
• Advanced numerical modules
  • Normalized state
  • Geometry
  • Normalized dynamics
  • Lennard–Jones evaluation
  • Unit constants
• Legacy compatibility
  • LegacyFormatError
  • ConversionReport
  • parse_legacy_input()
  • import_legacy_input()
  • split_legacy_examples()
  • convert_legacy_run()

The public API uses Pint quantities and read-only arrays. The normalized model and state types in vcsmd.models use float64 values in the package’s internal units and are intended for the numerical kernels, persistence, and advanced callers.

The supported application surface is re-exported from the top-level vcsmd package. Its __all__ defines the names imported by from vcsmd import *, which is convenient for interactive exploration. Maintained application and library code should generally use explicit imports so dependencies remain visible.