CFOUR_DROPMO¶
Specifies which molecular orbitals will be dropped from the post-SCF calculation. The orbitals are numbered in ascending order from the most stable (negative energy) to the most unstable (largest positive energy). Individual orbitals must be separated with a dash, while x>y means orbitals x through y inclusive. For example, the string
1>10-55-58>64, would result in orbitals 1,2,3,4,5,6,7,8,9,10,55,58,59,60,61,62,63 and 64 being dropped. For UHF calculations, the appropriate orbitals are deleted for both spin cases. No dropped virtual MOs are currently allowed for gradient or property calculations. Psi4 Interface: The array above is specified in PSI as (white space tolerant) [1,2,3,4,5,6,7,8,9,10,55,58,59,60,61,62,63,64].
Type: array
Default: No Default
