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Better support virtual sites plugins with vdW interactions #71

Merged
merged 16 commits into from
Jul 8, 2024
Merged

Better support virtual sites plugins with vdW interactions #71

merged 16 commits into from
Jul 8, 2024

Commits on Mar 8, 2024

  1. add first pass at plugin vsites

    @jthorton
    jthorton committed Mar 8, 2024
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  2. fix entry point

    @jthorton
    jthorton committed Mar 8, 2024
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  3. fix imports

    @jthorton
    jthorton committed Mar 8, 2024
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Commits on Mar 14, 2024

  1. Merge remote-tracking branch 'upstream/main' into base-virtual-site-type

    @mattwthompson
    mattwthompson committed Mar 14, 2024
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  2. Use _BaseVirtualSiteType

    @mattwthompson
    mattwthompson committed Mar 14, 2024
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Commits on Apr 16, 2024

  1. Update environment

    @mattwthompson
    mattwthompson committed Apr 16, 2024
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Commits on Apr 18, 2024

  1. Bring in changes from openforcefield/openff-interchange#947

    @mattwthompson
    mattwthompson committed Apr 18, 2024
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Commits on Apr 29, 2024

  1. Use development branch

    @mattwthompson
    mattwthompson committed Apr 29, 2024
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  2. Add double exponential water example

    @mattwthompson
    mattwthompson committed Apr 29, 2024
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  3. Run example with condensed water

    @mattwthompson
    mattwthompson committed Apr 29, 2024
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Commits on Apr 30, 2024

  1. Work around LJ defaults on non-LJ virtual sites

    @mattwthompson
    mattwthompson committed Apr 30, 2024
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  2. Fix virtual site ordering

    @mattwthompson
    mattwthompson committed Apr 30, 2024
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  3. Let distance parameter be non-zero

    @mattwthompson
    mattwthompson committed Apr 30, 2024
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Commits on Jul 8, 2024

  1. fix plugin vsite tests

    @jthorton
    jthorton committed Jul 8, 2024
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  2. Merge remote-tracking branch 'upstream/main' into base-virtual-site-type

    @mattwthompson
    mattwthompson committed Jul 8, 2024
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  3. Update test environment

    @mattwthompson
    mattwthompson committed Jul 8, 2024
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