Releases: romerogroup/ElasTensor
Releases · romerogroup/ElasTensor
v0.0.2
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.