mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-26 14:23:43 +01:00
20 lines
381 B
INI
20 lines
381 B
INI
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[do_JK_functionals]
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type: logical
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doc: Compute energies for JK-only functionals
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interface: ezfio,provider,ocaml
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default: True
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[do_JKL_functionals]
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type: logical
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doc: Compute energies for JKL-only functionals (PNOFs)
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interface: ezfio,provider,ocaml
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default: True
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[do_PT2_NOFT]
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type: logical
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doc: Compute PT2 correction for NOFT
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interface: ezfio,provider,ocaml
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default: False
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