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Pull requests: openforcefield/openff-interchange

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Pull requests list

Use implicit units in models
#65 by mattwthompson was merged Dec 8, 2020 Loading…
1
Separate multi-term torsions into separate Potential objects
#64 by mattwthompson was merged Dec 8, 2020 Loading…
1
1
Update examples
#62 by mattwthompson was merged Dec 2, 2020 Loading…
1
Use new model for unit-tagged arrays
#61 by mattwthompson was closed Jan 13, 2021 Loading…
3
Add basic ParmEd tests
#59 by mattwthompson was merged Nov 23, 2020 Loading…
2
Drop sympy for expression parsing
#57 by mattwthompson was merged Nov 20, 2020 Loading…
1
Include integration tests in codecov
#54 by mattwthompson was closed Nov 25, 2020 Loading…
2
Support SMIRNOFF constraints
#53 by mattwthompson was merged Nov 19, 2020 Loading…
1
Store "slot" identifiers as str
#51 by mattwthompson was merged Nov 17, 2020 Loading…
1
1
Set up binder
#48 by mattwthompson was merged Nov 16, 2020 Loading…
2
Add parameter replacement example
#47 by mattwthompson was merged Nov 16, 2020 Loading…
1
Update ParmEd converter for new components
#45 by mattwthompson was merged Nov 17, 2020 Loading…
2
Bump actions/setup-python from v1 to v2.1.4 dependencies Pull requests that update a dependency file
#44 by dependabot bot was merged Nov 10, 2020 Loading…
1
Bump conda-incubator/setup-miniconda from v1 to v2 dependencies Pull requests that update a dependency file
#43 by dependabot bot was merged Nov 10, 2020 Loading…
1
Set up dependabot
#42 by mattwthompson was merged Nov 10, 2020 Loading…
1
Add autodiff-friendly matrix representations to PotentialHandler
#41 by mattwthompson was merged Nov 10, 2020 Loading…
1
Fix codecov
#38 by mattwthompson was merged Nov 5, 2020 Loading…
1
Foyer handlers
#37 by mattwthompson was closed Dec 16, 2020 Loading…
3
Foyer handlers
#36 by mattwthompson was closed Oct 29, 2020 Loading…
Component refactor
#30 by mattwthompson was merged Nov 3, 2020 Loading…
5 tasks
3
Draft of proposed spec
#29 by mattwthompson was closed Nov 8, 2021 Loading…
15
Update tests with top_from_smiles
#26 by mattwthompson was merged Sep 30, 2020 Loading…
1
Use OpenFF Toolkit 0.7.2
#24 by mattwthompson was merged Sep 30, 2020 Loading…
1
Add Integration tests
#23 by mattwthompson was merged Oct 8, 2020 Loading…
1
MAINT: Use mamba with miniconda action
#22 by mattwthompson was merged Jul 21, 2020 Loading…
2
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