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NEEMP:Modes

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Revision as of 09:37, 28 May 2016 by Francesco (talk | contribs) (Created page with "'''NEEMP''' features several functionalities, each of those can be selected by the option ''--mode'' or ''-m'' combined with one of the following keywords: '' info'...")

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NEEMP features several functionalities, each of those can be selected by the option --mode or -m combined with one of the following keywords: info : display information about the training set cover : display how many molecules are covered by the given parameters set charges : calculate EEM charges cross : perform cross-validation params : calculate EEM parameters

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