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Pull requests: openforcefield/openff-interchange
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Cache some charge increment calculations
#1126
opened Dec 11, 2024 by
mattwthompson
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1 of 4 tasks
Improve performance of
Interchange.from_smirnoff
on polymers
#1122
opened Dec 9, 2024 by
mattwthompson
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3 tasks
Read GROMACS topology files split into
.itp
files
#1120
opened Dec 6, 2024 by
mattwthompson
•
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3 tasks
Optionally write GROMACS topologies as multiple
.itp
files
#1119
opened Dec 4, 2024 by
mattwthompson
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2 of 3 tasks
More consistently use existing charge caching
#1115
opened Nov 21, 2024 by
mattwthompson
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1 of 3 tasks
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