Code

Bug fix#70

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Merged

ajfriedman22 merged 22 commits intomasterwehs7661/ensemble_md:masterfrom bug-fixwehs7661/ensemble_md:bug-fixCopy head branch name to clipboardJan 22, 2025

+189-104

Commits

Commits on Nov 4, 2024

• Fix topology parsing bug

  ajfriedman22

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  838d9e2

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• Fix linting warning

  ajfriedman22

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  48ddbbb

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• Update tests to match changes

  ajfriedman22

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  1af9cd5

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Commits on Nov 5, 2024

• Fix minor error

  ajfriedman22

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  8bfe224

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• Fix element name parsing

  ajfriedman22

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  55375db

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Commits on Nov 19, 2024

• Fix atom ordering error for test case

  ajfriedman22

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  1b77e89

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• Fix test error

  ajfriedman22

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  f00c6c4

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• Fix test error

  ajfriedman22

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  5377a81

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Commits on Nov 21, 2024

• Fix rounding issue

  ajfriedman22

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  b8e91d8

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Commits on Dec 11, 2024

• Prevent swaps from being attempted twice on restart

  ajfriedman22

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  c258d76

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Commits on Jan 9, 2025

• Fix checkpoint restart for weight updating simulations

  ajfriedman22

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  59bfa09

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Commits on Jan 14, 2025

• Merge branch 'bug-fix' of github.com:wehs7661/ensemble_md into bug-fix

  ajfriedman22

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  96f66b4

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• Add comment

  ajfriedman22

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  77687c0

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Commits on Jan 17, 2025

• Update nan syntax

  ajfriedman22

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  1e7c588

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Commits on Jan 20, 2025

• Attempted to fix an issue in CI

  wehs7661

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  ca24c84

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Commits on Jan 21, 2025

• Attempt to fix test issue

  ajfriedman22

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  6548d88

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• Make coordinate swap test more reobust to rounding

  ajfriedman22

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  c7a41bd

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• Fix linting

  ajfriedman22

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  3d04990

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• Fix test error

  ajfriedman22

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  ac728eb

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• Another attempt to pick a test

  ajfriedman22

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  ccb8f57

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• Increase test coverage

  ajfriedman22

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  53b3962

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• Fix linting

  ajfriedman22

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  5088d7b

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