V5.3

[lixilong-cluster]

[5.3] - 2024-06-27

Added

- Function 6: Convert .gjf to .xyz or extract sturc from .log and save as .xyz.
- Support for:
    -- convert gjf to xyz
    -- extract opted structures from log files and save as gjf, xyz or both gjf and xyz.

Fixed

Use module lazy loading to speed up program load time 

[5.3] - 2024-06-25

Added

- Function 7: generation of atomic term symbols for single and mixed configurations.
- Support for single configurations (e.g., p3, d2) and mixed configurations (e.g., s1p3, p5d4).

Fixed