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Pull requests: openforcefield/openff-interchange

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Pull requests list

Document sharp edge of charges and Interchange.combine
#1155 opened Jan 27, 2025 by mattwthompson Loading…
3 tasks
1
1
Error when non-bonded 1-4 scaling factors differ significantly
#1153 opened Jan 24, 2025 by mattwthompson Loading…
2 of 3 tasks
1
2
Update experimental tag on examples, tests
#1150 opened Jan 23, 2025 by mattwthompson Loading…
3 tasks
0.4.2
2
Always use openmm.LangevinMiddleIntegrator
#1137 opened Jan 10, 2025 by mattwthompson Loading…
5 tasks done
0.4.2
1
2
Do not subtract tolerance from box size
#1110 opened Nov 15, 2024 by mattwthompson Loading…
3 tasks
0.4.2
2
Added triclinic boxes for lammps
#1095 opened Nov 6, 2024 by wutobias Loading…
1 of 3 tasks
0.4.2
9
Migrate project to pixi
#1093 opened Nov 4, 2024 by mattwthompson • Draft
3 tasks
1
Support importing (some) virtual sites in Interchange.from_openmm
#1081 opened Oct 21, 2024 by mattwthompson Loading…
6 tasks
0.4.2
1
9
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