mirror of
https://github.com/LCPQ/quantum_package
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35 lines
907 B
INI
35 lines
907 B
INI
[disk_access_ao_integrals_erf]
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type: Disk_access
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doc: Read/Write AO integrals with the long range interaction from/to disk [ Write | Read | None ]
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interface: ezfio,provider,ocaml
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default: None
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[disk_access_mo_integrals_erf]
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type: Disk_access
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doc: Read/Write MO integrals with the long range interaction from/to disk [ Write | Read | None ]
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interface: ezfio,provider,ocaml
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default: None
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[ao_integrals_threshold]
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type: Threshold
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doc: If |<pq|rs>| < ao_integrals_threshold then <pq|rs> is zero
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interface: ezfio,provider,ocaml
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default: 1.e-15
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ezfio_name: threshold_ao
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[mo_integrals_threshold]
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type: Threshold
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doc: If |<ij|kl>| < ao_integrals_threshold then <pq|rs> is zero
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interface: ezfio,provider,ocaml
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default: 1.e-15
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ezfio_name: threshold_mo
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[mu_erf]
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type: double precision
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doc: cutting of the interaction in the range separated model
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interface: ezfio,provider,ocaml
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default: 0.5
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ezfio_name: mu_erf
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