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hprats committed Nov 7, 2024
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Expand Up @@ -18,13 +18,36 @@ ZacrosTools is a versatile toolkit designed to simplify the preparation and anal

### Recent Changes

#### Version 1.02 - 06-Nov-2024
- In `KMCModel.create_job_dir` method, parameter `auto_scaling_steps` has been renamed to `stiffness_scaling_steps`and
parameter `auto_scaling_tags` has been renamed to `stiffness_scaling_tags`.
- Fixed bug where, if only one surface species was declared, `surf_specs_dent` would be an integer instead of a list.
- Fixed bug where the total pressure could be written as an integer, and then the simulation will crash.
- Now, ZacrosTools checks if the keywords provided in `stiffness_scaling_tags` are allowed.
- Improved the [ZacrosTools Documentation](https://zacrostools.readthedocs.io/en/latest/).
#### [1.3] - 07-Nov-2024

##### Added
- **Comprehensive Test Suite with Pytest**: Implemented a suite of tests using Pytest to ensure code reliability and facilitate future development.
- **Continuous Integration with GitHub Actions**: Set up CI workflows to automatically run tests on every push and pull request, enhancing code quality and preventing regressions.
- **Enhanced Documentation**:
- Updated `README.md` with detailed installation instructions, usage examples, badges, and contributor guidelines.

##### Improved
- **Project Structure**: Organized the project files and directories for better clarity and maintainability.
- **Error Handling**: Enhanced custom exceptions and error messages for more informative feedback to users.
- **Code Quality**: Refactored code to adhere to PEP 8 standards, improving readability and consistency.

#### [1.2] - 06-Nov-2024

##### Added
- **New Parameters in `KMCModel.create_job_dir`**: Introduced new parameters in anticipation of a future version of Zacros.

##### Changed
- **Parameter Renaming in `KMCModel.create_job_dir`**:
- Renamed `auto_scaling_steps` to `stiffness_scaling_steps`.
- Renamed `auto_scaling_tags` to `stiffness_scaling_tags`.

##### Fixed
- **Surface Species List Bug**: Resolved an issue where, if only one surface species was declared, `surf_specs_dent` would be an integer instead of a list.
- **Total Pressure Format**: Fixed a bug where the total pressure could be written as an integer, causing simulation crashes.

##### Improved
- **Keyword Validation**: Added checks to ensure that the keywords provided in `stiffness_scaling_tags` are allowed.
- **Documentation Enhancements**: Improved the [ZacrosTools Documentation](https://zacrostools.readthedocs.io/en/latest/).

Full details in the [ZacrosTools CHANGELOG](https://github.com/hprats/ZacrosTools/blob/main/CHANGELOG.md).

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