Adding irc calculations #104
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Parity with main
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Plams uses a different method to clean calculation directories in which users can specify which files to keep. See
(this doc)[https://www.scm.com/doc/plams/components/results.html?highlight=keep#cleaning-for-multijobs]
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Indeed, but we also have to support ORCA and CREST and possibly more engines. In that case I think we should just implement our own methods. I am also unsure if it is a good idea to let the user determine what files to keep. I think it is better to keep everything as simple as possible and hidden away from the user.
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Do not think it is a good idea to let the user determine which files to keep. We need to make it indeed as simple as possible
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You can merge it @YHordijk |
This PR brings support for IRC calculations