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  • Internals
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  • Dump tools

Dump tools

ElemCo.DumpTools — Module
DumpTools module

Tools for manipulating FCIDump files.

Exported functions

ElemCo.DumpTools.freeze_orbs_in_dump — Method
freeze_orbs_in_dump(EC::ECInfo, freeze_orbs)

Freeze orbitals in FCIDump file EC.fd according to an array or range freeze_orbs.

Internal functions

« FCIDump filesElements »

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