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WBOFragmenter() Segmentation fault

Status: Open.

#199 In openforcefield/openff-fragmenter;

· and-tos opened on Apr 24, 2025

Use xtb for the WBO

Status: Open.

#160 In openforcefield/openff-fragmenter;

· jthorton opened on May 31, 2023

Provide a way to map from <code>WBOFragmenter</code> input molecule to parent molecule

enhancementNew feature or requestNew feature or request

Status: Open.

#129 In openforcefield/openff-fragmenter;

· j-wags opened on Nov 6, 2021

Fragmentation issue because of stereochem when the bond involves Sulfur

questionFurther information is requestedFurther information is requested

Status: Open.

#127 In openforcefield/openff-fragmenter;

· rvkrishnan30 opened on Nov 5, 2021

Handle different charging failures appropriately

Status: Open.

#52 In openforcefield/openff-fragmenter;

· ChayaSt opened on Dec 20, 2019

chirality of fragments sometimes flip

bugSomething isn't workingSomething isn't working

Status: Open.

#34 In openforcefield/openff-fragmenter;

· ChayaSt opened on Jul 12, 2019