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v0.0.2

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@lllangWV lllangWV released this 14 Feb 19:27
· 7 commits to master since this release

0.0.2 (02-14-2025)

Bugs
  • Fixed a bug related to reading atomic positions.
  • Removed unnecessary raising of NotImplementedError.
New Features
  • Added a Calculator class to the initialization.
  • Implemented the calculator to compute elastic constants.
  • Introduced a new Vasp Parser scheme.
  • Developed Deformations as a subclass of Mapping.
  • Enhanced the code with voight stress tensor notation.
Documentation updates
  • Updated _version.py and CHANGELOG.md in preparation for a new release.
Maintenance
  • Improved code readability by reducing indentation.
  • Merged the latest changes from the master branch.
  • Separated mode validation into its own function.
  • Modified the str representation method for the Calculator class.
  • Updated the from_file method to accept arguments from child classes.