mirror of
https://github.com/LCPQ/quantum_package
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32 lines
733 B
INI
32 lines
733 B
INI
[do_direct_integrals]
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type: logical
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doc: Compute integrals on the fly
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interface: input
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default: False
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ezfio_name: direct
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[disk_access_mo_integrals]
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type: Disk_access
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doc: Write, Read, None for MO integrals from disk (EZFIO folder)
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interface: input
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default: None
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[disk_access_ao_integrals]
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type: Disk_access
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doc: Write or Read or None for AO integrals from disk (EZFIO folder)
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interface: input
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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 null
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interface: input
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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 null
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interface: input
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default: 1.e-15
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ezfio_name: threshold_mo |