Set the offset of the adaptive shift equal to the eigen energy(s) of the trial space.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | nexcit_keep |
number of wave functions/energies kept during trial-wf initialization |
||
| logical, | intent(in) | :: | replica_pairs |
whether replicas are assumed to be paired during trial-wf initialization |