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Enhanced backwards compatibility with previous function #104

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Enhanced backwards compatibility with previous function #104

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Commits on Oct 16, 2024

  1. fix: match cases in platform name to OpenMM standards

    @mellofariam
    mellofariam committed Oct 16, 2024
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  2. Revert "fix: match cases in platform name to OpenMM standards" 

    This reverts commit c287077.
    @mellofariam
    mellofariam committed Oct 16, 2024
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  3. fix: handle case in platform selection to match OpenMM standards

    @mellofariam
    mellofariam committed Oct 16, 2024
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  4. fix: updated getPositions to retrieve position data from OpenMM context

    @mellofariam
    mellofariam committed Oct 16, 2024
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  5. fix: changed default name for saveStructure from _block to `_step… 

    …`, and corrected behavior to allow for user defined names
    @mellofariam
    mellofariam committed Oct 16, 2024
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  6. updated name from printForces to getForces to match new behavior … 

    …of the function
    @mellofariam
    mellofariam committed Oct 16, 2024
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  7. feat: added printForces function that plots the DataFrame constru… 

    …cted in `getForces`
    @mellofariam
    mellofariam committed Oct 16, 2024
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  8. update runDefault in tests to work with current version

    @mellofariam
    mellofariam committed Oct 16, 2024
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  9. updated files generated by runDefault test

    @mellofariam
    mellofariam committed Oct 16, 2024
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