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Record ghostly options on modified molecules and refuse to modify twice unless forced - #20
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Ghostly doesn't record that a system has been modified, so running it twice, e.g. by passing ghostly output to SOMD2 with ghost modifications enabled, silently applies the modifications again.
ghostly_optionsproperty holding a JSON list of the options used for each modification, in the order applied.modifyraises an error for a system that has already been modified, unlessforce=True(--forceon the command line) is passed. Forced modifications are applied on top of the existing ones and appended to the options history.