tce mrcc. This is the first revert point. Now BW/Mk CCSD works but we have to rewrite these routines for better performance. In this version however charge other than zero and odd number of electrons don't work. CAS reference generator also dnt work in c1 symmetry, no symmetry.
tce mrcc. This is the first revert point. Now BW/Mk CCSD works but we have to rewrite these routines for better performance. In this version however charge other than zero and odd number of electrons don't work. CAS reference generator also dnt work in c1 symmetry, no symmetry.




rangsimanketkaew/NWChem