コード例 #1
0
    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.Foo = imd.Foo(t1, t2, eris)
        self.Fvv = imd.Fvv(t1, t2, eris)
        self.Fov = imd.Fov(t1, t2, eris)

        # 2 virtuals
        self.Wovvo = imd.Wovvo(t1, t2, eris)
        self.Woovv = eris.oovv

        log.timer('EOM-CCSD shared intermediates', *cput0)
コード例 #2
0
    def _make_shared(self):
        cput0 = (logger.process_clock(), logger.perf_counter())

        t1, t2, eris = self.t1, self.t2, self.eris
        self.Foo = imd.Foo(t1, t2, eris)
        self.Fvv = imd.Fvv(t1, t2, eris)
        self.Fov = imd.Fov(t1, t2, eris)

        # 2 virtuals
        self.Wovvo = imd.Wovvo(t1, t2, eris)
        self.Woovv = eris.oovv

        self._made_shared = True
        logger.timer_debug1(self, 'EOM-CCSD shared intermediates', *cput0)
        return self