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Parallel bias metadynamics #131

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Parallel bias metadynamics #131

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Commits on May 12, 2022

  1. created template for pbmetad

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    sivadasetty committed May 12, 2022
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Commits on Jul 18, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

    @sivadasetty
    sivadasetty authored Jul 18, 2022
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Commits on Jul 19, 2022

  1. init modif of metad to pbmetad

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    sivadasetty committed Jul 19, 2022
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Commits on Jul 20, 2022

  1. update - separate heights for each CV

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    sivadasetty committed Jul 20, 2022
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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    pre-commit-ci[bot] committed Jul 20, 2022
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Commits on Jul 21, 2022

  1. draft of pbmetad without grids support

    @sivadasetty
    sivadasetty committed Jul 21, 2022
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  2. draft of pbmetad without grids support

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    sivadasetty committed Jul 21, 2022
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Commits on Jul 25, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

    @sivadasetty
    sivadasetty authored Jul 25, 2022
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Commits on Jul 27, 2022

  1. Crude state pbmetad without grids support

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    sivadasetty committed Jul 27, 2022
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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    pre-commit-ci[bot] committed Jul 27, 2022
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  3. Crude state added pbmetad to init

    @sivadasetty
    sivadasetty committed Jul 27, 2022
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  4. Merge branch 'pbmetad' of https://github.com/sivadasetty/PySAGES into… 

    … pbmetad
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    sivadasetty committed Jul 27, 2022
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  5. Crude nogrids - updated ADP example

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    sivadasetty committed Jul 27, 2022
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  6. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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    pre-commit-ci[bot] committed Jul 27, 2022
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Commits on Jul 30, 2022

  1. added support for grids

    @sivadasetty
    sivadasetty committed Jul 30, 2022
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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  3. updated test_pickle to include pbmetad

    @sivadasetty
    sivadasetty committed Jul 30, 2022
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  4. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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  5. updated grids for pbmetad

    @sivadasetty
    sivadasetty committed Jul 30, 2022
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  6. updated for pbmetad

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    sivadasetty committed Jul 30, 2022
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  7. fixed grids kwargs

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    sivadasetty committed Jul 30, 2022
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  8. added pbmetad to ci

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    sivadasetty committed Jul 30, 2022
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  9. added pbmetad to docker-ci

    @sivadasetty
    sivadasetty committed Jul 30, 2022
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  10. removed unused imports and vars

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    sivadasetty committed Jul 30, 2022
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  11. fixed len of lines

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    sivadasetty committed Jul 30, 2022
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  12. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
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  13. final fixes

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    sivadasetty committed Jul 30, 2022
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  14. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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  15. minor fmt edits

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    sivadasetty committed Jul 30, 2022
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  16. [pre-commit.ci] auto fixes from pre-commit.com hooks 

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    pre-commit-ci[bot] committed Jul 30, 2022
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  17. Merge branch 'SSAGESLabs:main' into pbmetad

    @sivadasetty
    sivadasetty authored Jul 30, 2022
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Commits on Jul 31, 2022

  1. minor fmt fixes

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    sivadasetty committed Jul 31, 2022
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  2. updated docs to include pbmetad

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    sivadasetty committed Jul 31, 2022
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  3. added missing spell

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    sivadasetty committed Jul 31, 2022
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Commits on Aug 3, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

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    sivadasetty authored Aug 3, 2022
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Commits on Aug 15, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

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    sivadasetty authored Aug 15, 2022
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Commits on Aug 20, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

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    sivadasetty authored Aug 20, 2022
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Commits on Aug 22, 2022

  1. Merge branch 'SSAGESLabs:main' into pbmetad

    @sivadasetty
    sivadasetty authored Aug 22, 2022
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Commits on Jan 24, 2024

  1. Merge branch 'main' into pbmetad

    @sivadasetty
    sivadasetty authored Jan 24, 2024
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