Mopac-step

Latest version: v2024.10.15

Safety actively analyzes 682404 Python packages for vulnerabilities to keep your Python projects secure.

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* MOPAC v2022.1.0 added GRADIENT_NORM_UPDATED to the AUX file. This updates adds it to
the results recognized by the plug-in

* Adds IUPAC names, InChI and InChIKey as possible names for configurations
* Cleaned up output to be properly indented and laid out.

* If the bond orders were printed but not used on the system, the code crashed.

* Also added capability to use the bond orders to put bond multiplicities on the
structure.

* Major issue in getting the bonds from the Lewis structure where the atoms and bond
orders were mixed up.

Has known vulnerabilities

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