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Pull requests: openforcefield/openff-interchange
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LAMMPS improvements trunk
feedback needed
Could use feedback from users
#1011
opened Jul 16, 2024 by
mattwthompson
•
Draft
Clarify
to_openmm_simulation docstring and rename to_lammps(file_path) arg to prefix
#1042
opened Aug 21, 2024 by
Yoshanuikabundi
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Update topology/system particle bookkeeping in OpenMM
#1051
opened Sep 17, 2024 by
mattwthompson
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7 tasks done
Document that topology charges are ignored
#1064
opened Sep 27, 2024 by
mattwthompson
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1 task done
Decrease default density in Packmol wrappers
#1068
opened Oct 2, 2024 by
mattwthompson
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6 tasks done
Handle some edge cases with preset charges
#1070
opened Oct 3, 2024 by
mattwthompson
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10 of 11 tasks
Bump mamba-org/setup-micromamba from 1 to 2
dependencies
Pull requests that update a dependency file
#1072
opened Oct 4, 2024 by
dependabot
bot
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