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Add support for hoomd.md.improper.Periodic in to_hoomd_forcefield #807

Merged
merged 21 commits into from
May 16, 2024
Merged

Add support for hoomd.md.improper.Periodic in to_hoomd_forcefield #807

merged 21 commits into from
May 16, 2024

Commits on Mar 7, 2024

  1. add dict entry for periodic impropers

    @chrisjonesBSU
    chrisjonesBSU committed Mar 7, 2024
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Commits on Mar 8, 2024

  1. add sign factor (d) to Periodic Improper

    @chrisjonesBSU
    chrisjonesBSU committed Mar 8, 2024
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  2. Change key name to match GAFF, hard code d = 1

    @chrisjonesBSU
    chrisjonesBSU committed Mar 8, 2024
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  3. remove d param from template

    @chrisjonesBSU
    chrisjonesBSU committed Mar 8, 2024
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  4. Remove d from expression

    @chrisjonesBSU
    chrisjonesBSU committed Mar 8, 2024
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  5. change d from int to float

    @chrisjonesBSU
    chrisjonesBSU committed Mar 8, 2024
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Commits on Mar 28, 2024

  1. Merge branch 'main' of github.com:mosdef-hub/gmso into hoomd-dihedrals

    @chrisjonesBSU
    chrisjonesBSU committed Mar 28, 2024
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  2. Merge branch 'hoomd-dihedrals' of github.com:chrisjonesBSU/gmso into … 

    …hoomd-dihedrals
    @chrisjonesBSU
    chrisjonesBSU committed Mar 28, 2024
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Commits on Apr 3, 2024

  1. Merge branch 'main' of github.com:mosdef-hub/gmso into hoomd-dihedrals

    @chrisjonesBSU
    chrisjonesBSU committed Apr 3, 2024
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  2. update python version, remove ethanol from unit test

    @chrisjonesBSU
    chrisjonesBSU committed Apr 3, 2024
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Commits on Apr 5, 2024

  1. if wild card in member classes, use member types instead

    @chrisjonesBSU
    chrisjonesBSU committed Apr 5, 2024
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  2. use wildcard check for all forcefield writers

    @chrisjonesBSU
    chrisjonesBSU committed Apr 5, 2024
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  3. fix typo in env files

    @chrisjonesBSU
    chrisjonesBSU committed Apr 5, 2024
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  4. Fix variable name.

    @chrisjonesBSU
    chrisjonesBSU committed Apr 5, 2024
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Commits on Apr 15, 2024

  1. use .get() for d parameter

    @chrisjonesBSU
    chrisjonesBSU committed Apr 15, 2024
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Commits on Apr 29, 2024

  1. Merge branch 'main' of github.com:mosdef-hub/gmso into hoomd-dihedrals

    @chrisjonesBSU
    chrisjonesBSU committed Apr 29, 2024
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Commits on May 6, 2024

  1. fix conflicts

    @chrisjonesBSU
    chrisjonesBSU committed May 6, 2024
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  2. Merge branch 'main' into hoomd-dihedrals

    @daico007
    daico007 authored May 6, 2024
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Commits on May 7, 2024

  1. Merge branch 'main' into hoomd-dihedrals

    @chrisjonesBSU
    chrisjonesBSU authored May 7, 2024
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Commits on May 16, 2024

  1. Merge branch 'main' into hoomd-dihedrals

    @daico007
    daico007 authored May 16, 2024
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  2. change box size and seed for packing in test

    @chrisjonesBSU
    chrisjonesBSU committed May 16, 2024
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