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MultiStateReporter variable pos/vel save frequency #712

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MultiStateReporter variable pos/vel save frequency #712

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Commits on Jul 13, 2023

  1. allow MultiStateReporter to write positions and velocities at a diffe… 

    …rent frequency to energies data.
    @richardjgowers
    richardjgowers committed Jul 13, 2023
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Commits on Jul 17, 2023

  1. MultiStateReporter use 0 for do not write

    @richardjgowers
    richardjgowers committed Jul 17, 2023
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Commits on Aug 22, 2023

  1. Merge branch 'main' into multistatereporter_variable_pos_frequency

    @mikemhenry
    mikemhenry authored Aug 22, 2023
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Commits on Nov 14, 2023

  1. Merge branch 'main' into multistatereporter_variable_pos_frequency

    @mikemhenry
    mikemhenry authored Nov 14, 2023
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Commits on Jan 11, 2024

  1. WIP of multistatereporter tests

    @richardjgowers
    richardjgowers committed Jan 11, 2024
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  2. test for variable position saving

    @richardjgowers
    richardjgowers committed Jan 11, 2024
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  3. more tests for smaller nc files 

    currently no pos test is failing...
    @richardjgowers
    richardjgowers committed Jan 11, 2024
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Commits on Jan 12, 2024

  1. catch IndexError when file had no position/velocity data ever stored

    @richardjgowers
    richardjgowers committed Jan 12, 2024
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Commits on Jan 24, 2024

  1. Merge branch 'main' into multistatereporter_variable_pos_frequency

    @mikemhenry
    mikemhenry authored Jan 24, 2024
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Commits on Oct 1, 2024

  1. Merge branch 'main' into multistatereporter_variable_pos_frequency

    @mikemhenry
    mikemhenry authored Oct 1, 2024
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