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Pull requests: mosdef-hub/foyer

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Pull requests list

[pre-commit.ci] pre-commit autoupdate
#588 opened Oct 8, 2024 by pre-commit-ci bot Loading…
Replace pkg_resources with importlib and add python 3.13 to test suite. maintenance
#574 opened Jul 13, 2024 by chrisjonesBSU Loading…
4 tasks
4
update xml_writer for improper dihedral (for example, EMIM+ using GAFF)
#477 opened Nov 18, 2021 by XiaoboLinlin Loading…
4 tasks
2
Include bond order in TopologyGraph
#461 opened Sep 17, 2021 by justinGilmer Loading…
2 of 4 tasks
2
Add OPLS Parameters for ADOPA
#454 opened Aug 23, 2021 by rmatsum836 • Draft
4 tasks
2
Adds checking if the RB_to_OPLS dihedral conversion is exact when the standard OPLS format does not have a constant (i.e., f0/2)
#436 opened Jun 29, 2021 by bc118 Loading…
3 of 4 tasks
4
Add initial attempt at a plugin detector.
#292 opened Nov 1, 2019 by uppittu11 • Draft 0.7.4
1
6
started adding ether trappe-ua to forcefield
#192 opened Dec 7, 2018 by richardjgowers Loading…
3
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