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Merge pull request #4293 from jrgissing/bond_react_fixes_summ24

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Bond/react: fixes and error checking
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Axel Kohlmeyer
2024-08-26 10:45:32 -04:00
committed by GitHub
parent c0770715dd 99153f20be
commit dc66929e65
9 changed files with 774 additions and 802 deletions
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doc/src/fix_bond_react.rst
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@ -785,3 +785,7 @@ reset_mol_ids = yes, custom_charges = no, molecule = off, modify_create = *fit a
.. _Gissinger2020:
**(Gissinger2020)** Gissinger, Jensen and Wise, Macromolecules, 53, 22, 9953-9961 (2020).
.. _Gissinger2024:
**(Gissinger2024)** Gissinger, Jensen and Wise, Computer Physics Communications, 304, 109287 (2024).