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Charmm parameters writer #848

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Charmm parameters writer #848

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Commits on Sep 16, 2024

  1. initially create charmm parameter writer files and tests

    @CalCraven
    CalCraven committed Sep 16, 2024
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  2. function charmm file writers

    @CalCraven
    CalCraven committed Sep 16, 2024
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Commits on Sep 27, 2024

  1. Added support and testing files for urey bradley potentials

    @CalCraven
    CalCraven committed Sep 27, 2024
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  2. Add extra checking for reading independent variables from forcefield … 

    …as a list
    @CalCraven
    CalCraven committed Sep 27, 2024
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Commits on Sep 30, 2024

  1. Add compatibility checks for charmm parm files

    @CalCraven
    CalCraven committed Sep 30, 2024
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Sep 30, 2024
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  3. Fix unused variables in charmm writer and update epsilon in lj equati… 

    …on from 4*epsilon
    @CalCraven
    CalCraven committed Sep 30, 2024
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  4. Merge branch 'main' of https://github.com/mosdef-hub/gmso into charmm… 

    …-writer
    @CalCraven
    CalCraven committed Sep 30, 2024
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  5. Merge branch 'charmm-writer' of https://github.com/CalCraven/gmso int… 

    …o charmm-writer
    @CalCraven
    CalCraven committed Sep 30, 2024
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  6. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Sep 30, 2024
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