Pyxtal

Latest version: v1.0.3

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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

- Full support on 530 complete list of space groups
- Reorganization of documentations

- Enabled handling the Group and symmetry by Hall number (192)
- Extended the support to 530 Hall numbers.

Has known vulnerabilities

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