def make_ip(self):
if not self._made_shared:
self._make_shared()
cput0 = (time.clock(), time.time())
kconserv = self.kconserv
t1, t2, eris = self.t1, self.t2, self.eris
# 0 or 1 virtuals
self.Woooo = imd.Woooo(self._cc, t1, t2, eris, kconserv)
self.Wooov = imd.Wooov(self._cc, t1, t2, eris, kconserv)
self.Wovoo = imd.Wovoo(self._cc, t1, t2, eris, kconserv)
self.made_ip_imds = True
logger.timer_debug1(self, 'EOM-CCSD IP intermediates', *cput0)
return self
def make_ee(self):
if not self._made_shared:
self._make_shared()
cput0 = (time.clock(), time.time())
kconserv = self.kconserv
t1, t2, eris = self.t1, self.t2, self.eris
if not self.made_ip_imds:
# 0 or 1 virtuals
self.Woooo = imd.Woooo(self._cc, t1, t2, eris, kconserv)
self.Wooov = imd.Wooov(self._cc, t1, t2, eris, kconserv)
self.Wovoo = imd.Wovoo(self._cc, t1, t2, eris, kconserv)
if not self.made_ea_imds:
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(self._cc, t1, t2, eris, kconserv)
self.Wvvvv = imd.Wvvvv(self._cc, t1, t2, eris, kconserv)
self.Wvvvo = imd.Wvvvo(self._cc, t1, t2, eris, self.Wvvvv, kconserv)
self.made_ee_imds = True
logger.timer(self, 'EOM-CCSD EE intermediates', *cput0)
return self