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  • Giovanni Bussi's avatar
    b29f8ace
    Implemented UPDATE_FROM and UPDATE_UNTIL · b29f8ace
    Giovanni Bussi authored
    When specified, the update() method is only invoked
    within this time range. This allows to perform some tasks
    in a single simulation, e.g.:
    Equilibration + Metadynamics + umbrella sampling refinement
    with analysis of the last part only.
    
    Currently this is an optional flag for all the actions.
    I am not sure this is a good idea (currently update() method
    is only used in some ActionPilot), since this will make
    the keyword appear in every manual page.
    However, since the update method is in principle available on all
    the actions I preferred to add these keywords everywhere.
    
    Fixes #65
    b29f8ace
    History
    Implemented UPDATE_FROM and UPDATE_UNTIL
    Giovanni Bussi authored
    When specified, the update() method is only invoked
    within this time range. This allows to perform some tasks
    in a single simulation, e.g.:
    Equilibration + Metadynamics + umbrella sampling refinement
    with analysis of the last part only.
    
    Currently this is an optional flag for all the actions.
    I am not sure this is a good idea (currently update() method
    is only used in some ActionPilot), since this will make
    the keyword appear in every manual page.
    However, since the update method is in principle available on all
    the actions I preferred to add these keywords everywhere.
    
    Fixes #65
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