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Funnel ABF and Funnel Metadynamics #302

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Funnel ABF and Funnel Metadynamics #302

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Commits on Feb 14, 2024

  1. Add funnel methods and function 

    Add the funnel Metadynamics and Funnel ABF along with the restraint function
    @gustavor101
    gustavor101 committed Feb 14, 2024
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  2. Add funnel_cv 

    Add the funnel collective variable
    @gustavor101
    gustavor101 committed Feb 14, 2024
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  3. Add funnel loggers 

    Add the loggers for the funnel methods
    @gustavor101
    gustavor101 committed Feb 14, 2024
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  4. add funnel in init 

    add funnel_cv in the list of collective variables
    @gustavor101
    gustavor101 committed Feb 14, 2024
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  5. Add examples 

    Add funnel examples
    @gustavor101
    gustavor101 committed Feb 14, 2024
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Commits on Feb 23, 2024

  1. Add files via upload

    @gustavor101
    gustavor101 committed Feb 23, 2024
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  2. Add files via upload

    @gustavor101
    gustavor101 committed Feb 23, 2024
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  3. Add files via upload

    @gustavor101
    gustavor101 committed Feb 23, 2024
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  4. Add files via upload

    @gustavor101
    gustavor101 committed Feb 23, 2024
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  5. Add files via upload

    @gustavor101
    gustavor101 committed Feb 23, 2024
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Commits on Mar 14, 2024

  1. Update run.py 

    Activate cv restraints
    @gustavor101
    gustavor101 committed Mar 14, 2024
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  2. Update funnel_function.py 

    Make restrains functional on every range of cv_max
    @gustavor101
    gustavor101 committed Mar 14, 2024
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