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66.2.4 Library of databases

The directory database/sets contains several standard databases. Within each one is a description of its origin, contents and purpose. The scripts described above can take these databases as inputs, for example database/sets/examples/reactions/reactions.xml; as a shortcut, one could simply instead use examples/reactions which will find the system database irrespective of the current working directory.

molpro@molpro.net 2017-12-13