Pyxtal

Latest version: v1.0.5

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- Update the DFTB Calculator to parse the band structure

Support python3.10 (206) and updated the test workflow

Supports on PyXtal_DFTB, PyXtal_Symmetry_relation and MolecularPacking

- Supported the H-bond energy calculation for spherical image
- Improved the function to read structure from CSD

- Implement the image approach to represent crystal packing 204 (Not support H-bond system yet)

Fix several issues related to space group settings

Has known vulnerabilities

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