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the_mcscf_program_multi [2022/01/18 18:04] – [Saving the CI vectors] kreplin | the_mcscf_program_multi [2022/01/18 18:05] (current) – [Saving the CI vectors] kreplin | ||
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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. '' | An export for different orbital cards is possible as well, e.g. '' | ||
- | The export in determinant and CSF basis is also possible, e.g. '' | + | Also, the export in determinant and CSF basis can be combined, e.g. '' |
==== Saving information for single-state or state-averaged gradient calculations ==== | ==== Saving information for single-state or state-averaged gradient calculations ==== | ||