Reigned in my tendency to go overboard and only merged pre-existing files, with the exception of the double precision sphericald and pVpd files (taken directly), sortUtil.h, and several Becke grid functions, resulting in a working version with the new integral code! No DFT, SCF, CAS, x2c, or other special features at the moment.
Reigned in my tendency to go overboard and only merged pre-existing files, with the exception of the double precision sphericald and pVpd files (taken directly), sortUtil.h, and several Becke grid functions, resulting in a working version with the new integral code! No DFT, SCF, CAS, x2c, or other special features at the moment.