chemcoord

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# Feature to extract all the bonds, bond lengths, bond angles and dihedrals from a given Molecule

4

Currently the ZMat class doesn't have many a lot of helper functions. It will be nice to have a function to extract all the bonds, their bond lengths, bond angles...

Mayank447

Numba deprecation warning

3

Running the code with current numba yields the following warnings: ``` /opt/local/mambaforge/lib/python3.9/site-packages/numba/core/decorators.py:262: NumbaDeprecationWarning: numba.generated_jit is deprecated. Please see the documentation at: https://numba.readthedocs.io/en/stable/reference/deprecation.html#deprecation-of-generated-jit for more information and advice on a suitable...

ghutchis