ValeevGroup/mpqc — pull request #15 by pchong90 (2014-03-05 02:53:50+00:00)
Title: command line option -mpqc3 in pt2r12 program

add command line option -mpqc3 to pt2r12 program, it's used to control if use MPQC3 new feature, the default is false.

MPQC3 new feature in pt2r12 only works if MPQC is compiled with TA

tested with MPQC(libint) and MPQC(libint,TA)