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qp2/src/ao_two_e_ints/EZFIO.cfg
2019-01-25 11:39:31 +01:00

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INI

[io_ao_two_e_integrals]
type: Disk_access
doc: Read/Write |AO| integrals from/to disk [ Write | Read | None ]
interface: ezfio,provider,ocaml
default: None
[ao_integrals_threshold]
type: Threshold
doc: If | (pq|rs) | < `ao_integrals_threshold` then (pq|rs) is zero
interface: ezfio,provider,ocaml
default: 1.e-15
ezfio_name: threshold_ao
[do_direct_integrals]
type: logical
doc: Compute integrals on the fly (very slow, only for debugging)
interface: ezfio,provider,ocaml
default: False
ezfio_name: direct