Changelog
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Changelog
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Version 0.2.6 (2024-10-12)
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**Added**

* Code restructuring
* Documentation build

Version 0.2.5 (2024-10-06)
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**Added**:

* Automatic detection of hydrogen bonds based on the degree of covalence (see API documentation)
* Graph theory oriented approach to generation of of internal coordinates in order to apply it to molecules not fully connected by covalent bonds
* Parser for the support of Gaussian and Orca
* a optional installation (see installation) which provides access to database molecules
* a pymolpro integration to automatically run molpro calculates with .xyz files



**Planned for Version 0.2.6**:

* Giving users the possibility to input there own internal coordinates (Z-matrix) and visualize differences to the set optained by the algorithm