CCTRANSORT¶

Type: string
Possible Values: NONE, DISK, DIRECT
Default: NONE

Transforms and sorts integrals for CC codes. Called before (non-density-fitted) MP2 and coupled cluster computations.

General¶

The algorithm to use for the $\left<VV||VV\right>$ terms

Type: string

Possible Values: NONE, DISK, DIRECT

Default: NONE

Cacheing level for libdpd

Type: integer

Default: 2

Delete the SO two-electron integrals after the transformation?

Type: boolean

Default: true

Reference wavefunction type

Type: string

Default: RHF

Force conversion of ROHF MOs to semicanonical MOs to run UHF-based energies

Type: boolean

Default: false

Wavefunction type

Type: string

Default: No Default