kim-property new property definition

This release contains,

• A new crystal genome property definition.

kim-property definitions update

This release contains,

Updates

• property definitions updated by Brendon Waters (d2bffc5)

Bugfix

• update the single-element array extent (ea4fc3e)

Enhancements

• instance check updated
• extra test cases for kim_property_modify
• extra test cases for the correctness of instances

kim-property license update

v2.5.2

update the secrets

kim-property license update

Update the LGPLv2.1+ which is a deprecated identifier to LGPL-2.1-or-later which is the current official identifier

https://spdx.org/licenses/

kim-property module v2.5.0

This release contains,

• License update
  Now kim-property is using LGPL-2.1-or-later

• Bugfix
  Fix typo in the name of check instance optional key map function (#4)
  (Thanks to Daniel S. Karls @dskarls for the fix)

• Enhancements

  • Travis CI is no longer in the integration path. The functionality completely is covered by GitHub Actions and AppVeyor. Code Coverage is also covered by GitHub Actions.
  • Update the instance check. Add extra checks to make sure of the correct behavior for the check_property_instances function following the OpenKIM web app instance validator. Now if the property definition has a [:] (1darray) extent, it is only used for array and can not be used for scalar value. Also, if the property definition has a [] (scalar) extent, the scalar property instance value can not be enclosed by brackets.
  • Extra test cases are added to make sure of the correct behavior.
  • Cleaning the code and removing unused imports

kim-property module v2.4.0

This release contains:

• Update:
  • Update properties with a new version of dislocation-core-energy-cubic-crystal-npt
• Enhancements:
  • Cleaning the code and improving the interface
  • Add an extra example in the README
  • Update the submodule README with an instruction to update properties

kim-property module v2.3.0

This release contains:

• Enhancements:
  • Updating the kim_property_modify to the current properties framework standard in KIM
    This PR updates the behavior when having standard keys with extent.
    Now it is possible to support cases where the source-value key’s value is an array
    (EDN vector), and the values of the uncertainty and digits keys can be either array of
    the same extent or scalars.
  • Cleaning the code and improving the interface
  • Addition of extra tests to the system for numeric, modify and create modules
  • Address of issue #3
• Bug fixes
  • Fixed a bug causing issue #3
  • Fixed a bug in the numeric module, extending an array when the dimension is 5 or 6

KIM property module 2.2

This release contains:

• New:
  • Addition of the new property definition: dislocation-core-energy-cubic-crystal-npt
• Enhancements:
  • Separating the error module to make the code more modular
  • Cleaning the code and improving the interface
  • Addition of extra tests to the system for numeric, modify and create modules
  • Address of issue #1 by improving the error messages
• Bug fixes
  • Fixed a bug which was happening on creating and extending a one-dimensional array with the same size

KIM property module

This release contains:

• Enhancements:
  • Cleaning the code and remove unnecessary PATH search
• Bug fixes
  • Fixed a major bug in the previous release, where the absolute PATH to the KIM properties could not be found after the pip or conda installation of the Package.

KIM property module

This release contains:

• Enhancements:
  • Restructuring the code and creating individual components to make it more modular
  • Updating the KIM properties inclusion. Now instead of reading each property from a file, we have pickled all of the KIM properties in a file. To be platform-independent and Python version-independent, we use a protocol version 0.
  • Updating the "modify" module on how to treat scalars and updating them
• New features
  • Updating the "create" module interface, now it can create a property instance and use a user-defined property definition file as a property-name.
  • New functionality for pickling and unpickling KIM properties
  • New function to get the KIM properties
• Bug fixes