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Pull requests: openforcefield/openff-interchange

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Pull requests list

[pre-commit.ci] pre-commit autoupdate
#1360 opened Nov 3, 2025 by pre-commit-ci bot Loading…
@mattwthompson
1
Update Packmol defaults upstream Blocked by upstream changes
#1332 opened Sep 18, 2025 by mattwthompson • Draft
7 of 8 tasks
2
@mattwthompson
16
Exclude data files from conda/Python packages
#1329 opened Sep 17, 2025 by mattwthompson • Draft 0.4.8
@mattwthompson
3
Make Interchange.topology read-only
#1286 opened Aug 5, 2025 by mattwthompson • Draft
4 tasks
2
3
Add fix for charge assignment fallback and test
#1262 opened Jul 16, 2025 by j-wags • Draft
3 tasks
2
Make PACKMOL wrappers public
#1252 opened Jul 8, 2025 by mattwthompson Loading…
3 tasks
0.5.0
1
@mattwthompson
8
Look in $GMXDATA for missing force fields
#1226 opened May 20, 2025 by mattwthompson • Draft
3 tasks
1
Added simple rounding error solution
#1167 opened Feb 12, 2025 by pbuslaev Loading…
3 tasks
1
14
[DNM] Try processing more constraints to LAMMPS input files
#1160 opened Feb 5, 2025 by mattwthompson • Draft
3 tasks
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
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