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the_mcscf_program_multi [2022/01/18 18:04]
kreplin [Saving the CI vectors] 		the_mcscf_program_multi [2022/01/18 18:05] (current)
kreplin [Saving the CI vectors]
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 In contrast to the CSF export, all CI vectors of different WF cards are stored in the same specified record. In contrast to the CSF export, all CI vectors of different WF cards are stored in the same specified record.
 An export for different orbital cards is possible as well, e.g. ''natorb,2140.2,detcirec=5100.2''. An export for different orbital cards is possible as well, e.g. ''natorb,2140.2,detcirec=5100.2''.
-The export in determinant and CSF basis is also possible, e.g. ''save,detcirec=4100.2,cirec=5100.2''.+Also, the export in determinant and CSF basis can be combined, e.g. ''save,detcirec=4100.2,cirec=5100.2''.
 ==== Saving information for single-state or state-averaged gradient calculations ==== ==== Saving information for single-state or state-averaged gradient calculations ====