LazyMp¶
-
class
libadcc.
LazyMp
¶ Bases:
pybind11_builtins.pybind11_object
Class representing information about the Mo/ller-Plesset results from ADCman. Python binding to
adcc::LazyMp
.Attributes Summary
Obtain the MP2 difference density object.
Obtain the timer object of this class.
Methods Summary
df
(self, arg0)Obtain the Delta Fock matrix.
energy_correction
(self, arg0)Obtain the appropriate MP energy correction.
set_caching_policy
(self, arg0)set_t2
(self, arg0, arg1)Set the T2 amplitudes (invalidates dependent data automatically.
t2
(self, arg0)Obtain the T2 amplitudes.
t2eri
(self, arg0, arg1)Obtain a cached T2 tensor with ERI tensor contraction.
td2
(self, arg0)Obtain the T^D_2 term.
Attributes Documentation
-
has_core_occupied_space
¶
-
mospaces
¶
-
mp2_diffdm
¶ Obtain the MP2 difference density object.
-
reference_state
¶
-
timer
¶ Obtain the timer object of this class.
Methods Documentation
-
df
(self: libadcc.LazyMp, arg0: str) → libadcc.Tensor¶ Obtain the Delta Fock matrix.
-
energy_correction
(self: libadcc.LazyMp, arg0: int) → float¶ Obtain the appropriate MP energy correction.
-
set_caching_policy
(self: libadcc.LazyMp, arg0: CachingPolicy_i) → None¶
-
set_t2
(self: libadcc.LazyMp, arg0: str, arg1: libadcc.Tensor) → None¶ Set the T2 amplitudes (invalidates dependent data automatically.
-
t2
(self: libadcc.LazyMp, arg0: str) → libadcc.Tensor¶ Obtain the T2 amplitudes.
-
t2eri
(self: libadcc.LazyMp, arg0: str, arg1: str) → libadcc.Tensor¶ Obtain a cached T2 tensor with ERI tensor contraction.
-
td2
(self: libadcc.LazyMp, arg0: str) → libadcc.Tensor¶ Obtain the T^D_2 term.
-