CCTRANSORT¶
Transforms and sorts integrals for CC codes. Called before (non-density-fitted) MP2 and coupled cluster computations.
General¶
AO_BASIS¶
The algorithm to use for the terms
- Type: string
- Possible Values: NONE, DISK, DIRECT
- Default: NONE
CACHELEVEL¶
Cacheing level for libdpd
- Type: integer
- Default: 2
DELETE_TEI¶
Delete the SO two-electron integrals after the transformation?
- Type: boolean
- Default: true
SEMICANONICAL¶
Force conversion of ROHF MOs to semicanonical MOs to run UHF-based energies
- Type: boolean
- Default: false