KIM-Test-PM-Lite Documentation

KIM-Test-PM-Lite is a simplified, minimal testing framework for interatomic potentials that performs basic physical validation checks. It is a complementary lightweight package to check for Portable Model issues before submitting them to OpenKIM and running full battery of extensive checks.

It installs the model in a temporary folder and runs all the checks, cleaning up everything afterward. If needed all the generated artifacts can be archived for further inspection or debugging.

Contents

• Usage Guide
  • Command Line Interface
  • CLI Option Reference
  • Property Tests
  • Example CLI Session
  • Programmatic Interface
  • Reporting Utilities
• API Reference
  • kim_test_pm_lite.core.cli
  • kim_test_pm_lite.core.test_runner
  • kim_test_pm_lite.core.file_system
  • kim_test_pm_lite.core.model
  • kim_test_pm_lite.core.result_reporter
  • kim_test_pm_lite.utils.logging_utils