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Aux-AO matrix elements of the MM reaction field
enhancement
#1079
opened Jul 20, 2023 by
baumeier
2 tasks
Use a cut-off to automatically select atoms in QM for QMMM
xtp
#1010
opened Dec 6, 2022 by
sundaramvivek10
[csg] csg-tutorial/propane/imc does not run through
csg
csg-tutorials
#814
opened Jul 20, 2021 by
marvinbernhardt
[csg] Make IBI for bonded interactions a post update method
csg
#812
opened Mar 2, 2021 by
marvinbernhardt
[xtp] Implementation of ER Localized Diabatization
xtp
#835
opened Dec 18, 2020 by
gtirimbo
1 of 3 tasks
[xtp] Useful error messages for elements that are not found in maps
xtp
#829
opened Jun 13, 2020 by
baumeier
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Updated in the last three days: updated:>2024-09-22.