SCF_SUBTYPE

For certain SCF_TYPE algorithms that have internal sub-algorithms depending on available memory or other hardware constraints, allow the best sub-algorithm for the molecule and conditions (AUTO ; usual mode) or forcibly select a sub-algorithm (usually only for debugging or profiling). Presently, SCF_TYPE=DF, SCF_TYPE=MEM_DF, and SCF_TYPE=DISK_DF can have INCORE and OUT_OF_CORE selected; and SCF_TYPE=PK can have INCORE, OUT_OF_CORE, YOSHIMINE_OUT_OF_CORE, and REORDER_OUT_OF_CORE selected.

• Type: string

• Possible Values: AUTO, INCORE, OUT_OF_CORE, YOSHIMINE_OUT_OF_CORE, REORDER_OUT_OF_CORE

• Default: AUTO