OpenKIM Property Definitions

Introduction

This content populates the Property Definitions of the OpenKIM project.

This information is used to generate https://openkim.org/properties

See also the companion repository which contains the content of the Property Definitions Documentation Wiki: https://github.com/openkim/openkim-properties-wiki

Contributor and Mantainer

The contributor-and-maintainer.edn file, located in subdirectories with the contributor-and-maintainer/ path, has the following format:

{
  "contributor-username" "SomeUser"
  "contributor-uuid" "5374ed60-a7d0-44e8-97a6-dda29bc966c3"
  "maintainer-username" "AnotherUser"
  "maintainer-uuid" "4214fd6d-e92f-429b-ab2e-16f68fccbcaf"
}

The contributor-uuid is permanent once defined. In the event that the contributor changes their username, the contributor-username may be updated to reflect this. The maintainer-username and maintainer-uuid should be updated as needed to correspond to the current maintainer for the property.

Physics Validator

The physics-validator file, located in subdirectories with the physics-validator/ path, has the following requirements:

• The file must be executable (mode 755)
• The executable must take exactly one command-line argument: the absolute path to the results.edn file of the Test Result to be validated.
• The executable must work correctly when called with any value for the current working directory.
• If the test result passes the physics validator, the executable must provide an exit status (aka return status or exit code) of 0 (success). Otherwise, the exit status must be non-zero.