New Features
- Introduced support for handling file paths using Path objects from the pathlib module across various functions.
- Added `extract_head_tail_from_gms_inp` and `extract_head_tail_from_gau_inp` functions for extracting head and tail sections from GAMESS and Gaussian input files, respectively.
- Implemented `zopen` function to handle opening compressed files with extensions `.gz`, `.bz2`, and `.xz` transparently.
- Enhanced molecular input/output functions for various formats including XYZ, Gaussian, GAMESS, POSCAR, CIF, MOL, and SDF.
Improvements
- Improved the handling of file paths by replacing `os.path.expanduser` with `Path.expanduser`.
- Refactored and optimized several parsing functions to use more robust and maintainable code structures.
- Enhanced test coverage for new features and improvements.
Bug Fixes
- Fixed formatting issues in molecular coordinate output for GAMESS input files.
- Addressed compatibility issues with different file extensions in `read_file`function.
Breaking Changes
- Removed `gau_inp_head_tail` and replaced with `extract_head_tail_from_gau_inp`.
PyPI: https://pypi.org/project/molgeom/0.7.0
Example: https://github.com/sio-salt/molgeom-examples
Full Changelog: https://github.com/sio-salt/molgeom/compare/v0.6.10...v0.7.0