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)
log.timer('EOM-CCSD EA intermediates', *cput0)
def make_ea(self, ea_partition=None):
self._make_shared_1e()
if self._made_shared_2e is False and ea_partition != 'mp':
self._make_shared_2e()
self._made_shared_2e = True
cput0 = (logger.process_clock(), logger.perf_counter())
log = logger.Logger(self.stdout, self.verbose)
t1, t2, eris = self.t1, self.t2, self.eris
# 3 or 4 virtuals
self.Wvovv = imd.Wvovv(t1, t2, eris)
if ea_partition == 'mp':
self.Wvvvo = imd.Wvvvo(t1, t2, eris)
else:
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)