def _make_shared_2e(self): cput0 = (logger.process_clock(), logger.perf_counter()) log = logger.Logger(self.stdout, self.verbose) t1, t2, eris = self.t1, self.t2, self.eris # 2 virtuals self.Wovov = imd.Wovov(t1, t2, eris) self.Wovvo = imd.Wovvo(t1, t2, eris) self.Woovv = np.asarray(eris.ovov).transpose(0, 2, 1, 3) log.timer('EOM-CCSD shared two-electron intermediates', *cput0)
def _make_shared(self): cput0 = (time.clock(), time.time()) log = logger.Logger(self.cc.stdout, self.cc.verbose) t1, t2, eris = self.cc.t1, self.cc.t2, self.cc.eris self.Loo = imd.Loo(t1, t2, eris) self.Lvv = imd.Lvv(t1, t2, eris) self.Fov = imd.cc_Fov(t1, t2, eris) # 2 virtuals self.Wovov = imd.Wovov(t1, t2, eris) self.Wovvo = imd.Wovvo(t1, t2, eris) self.Woovv = eris.oovv log.timer('EOM-CCSD shared intermediates', *cput0)