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Charmm parameters writer#848

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CalCraven wants to merge 17 commits intomosdef-hub:mainmosdef-hub/gmso:mainfrom CalCraven:charmm-writerCalCraven/gmso:charmm-writerCopy head branch name to clipboard

+620-10

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Commits on Sep 16, 2024

• initially create charmm parameter writer files and tests

  CalCraven

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  3327de2

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• function charmm file writers

  CalCraven

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Commits on Sep 27, 2024

• Added support and testing files for urey bradley potentials

  CalCraven

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• Add extra checking for reading independent variables from forcefield as a list

  CalCraven

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Commits on Sep 30, 2024

• Add compatibility checks for charmm parm files

  CalCraven

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• Fix unused variables in charmm writer and update epsilon in lj equation from 4*epsilon

  CalCraven

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  2f10015

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• Merge branch 'main' of https://github.com/mosdef-hub/gmso into charmm-writer

  CalCraven

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• Merge branch 'charmm-writer' of https://github.com/CalCraven/gmso into charmm-writer

  CalCraven

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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Commits on Oct 15, 2024

• Merge branch 'main' into charmm-writer

  chrisjonesBSU

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  9b4c3e7

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• Merge branch 'main' of https://github.com/mosdef-hub/gmso into charmm-writer

  CalCraven

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Commits on Oct 18, 2024

• Merge branch 'main' into charmm-writer

  chrisjonesBSU

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Commits on Oct 30, 2024

• Merge branch 'main' of https://github.com/mosdef-hub/gmso into charmm-writer

  CalCraven

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Commits on Nov 5, 2024

• fix failing tests with singularity templates

  CalCraven

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  2fab3c0

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• Merge branch 'charmm-writer' of https://github.com/CalCraven/gmso into charmm-writer

  CalCraven

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Commits on Dec 18, 2024

• Merge branch 'main' into charmm-writer

  CalCraven

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  a3c0d42

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