def make_ea(self):
if not self._made_shared:
self._make_shared()
cput0 = (logger.process_clock(), logger.perf_counter())
t1, t2, eris = self.t1, self.t2, self.eris
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(t1, t2, eris)
self.Wvvvv = imd.Wvvvv(t1, t2, eris)
self.Wvvvo = imd.Wvvvo(t1, t2, eris, self.Wvvvv)
self.made_ea_imds = True
logger.timer_debug1(self, 'EOM-CCSD EA intermediates', *cput0)
return self
def make_ea(self):
if self._made_shared is False:
self._make_shared()
self._made_shared = True
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
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(t1, t2, eris)
self.Wvvvv = imd.Wvvvv(t1, t2, eris)
self.Wvvvo = imd.Wvvvo(t1, t2, eris, self.Wvvvv)
self.made_ea_imds = True
log.timer('EOM-CCSD EA intermediates', *cput0)
def make_ee(self):
if not self._made_shared:
self._make_shared()
cput0 = (logger.process_clock(), logger.perf_counter())
t1, t2, eris = self.t1, self.t2, self.eris
if not self.made_ip_imds:
# 0 or 1 virtuals
self.Woooo = imd.Woooo(t1, t2, eris)
self.Wooov = imd.Wooov(t1, t2, eris)
self.Wovoo = imd.Wovoo(t1, t2, eris)
if not self.made_ea_imds:
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(t1, t2, eris)
self.Wvvvv = imd.Wvvvv(t1, t2, eris)
self.Wvvvo = imd.Wvvvo(t1, t2, eris, self.Wvvvv)
self.made_ee_imds = True
logger.timer(self, 'EOM-CCSD EE intermediates', *cput0)
return self
def make_ee(self):
if self._made_shared is False:
self._make_shared()
self._made_shared = True
cput0 = (logger.process_clock(), logger.perf_counter())
log = logger.Logger(self.cc.stdout, self.cc.verbose)
t1, t2, eris = self.cc.t1, self.cc.t2, self.cc.eris
if self.made_ip_imds is False:
# 0 or 1 virtuals
self.Woooo = imd.Woooo(t1, t2, eris)
self.Wooov = imd.Wooov(t1, t2, eris)
self.Wovoo = imd.Wovoo(t1, t2, eris)
if self.made_ea_imds is False:
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(t1, t2, eris)
self.Wvvvv = imd.Wvvvv(t1, t2, eris)
self.Wvvvo = imd.Wvvvo(t1, t2, eris, self.Wvvvv)
self.made_ee_imds = True
log.timer('EOM-CCSD EE intermediates', *cput0)
