SCF multithreading support seems reasonable, however a lot of time can be spent instantiating the basis both before the SCF and especially after (e.g. stresses or higher-order energy derivatives), so it would be good to exploit multithreading there as well.
SCF multithreading support seems reasonable, however a lot of time can be spent instantiating the basis both before the SCF and especially after (e.g. stresses or higher-order energy derivatives), so it would be good to exploit multithreading there as well.