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

`has_core_occupied_space`
`mospaces`
`mp2_diffdm`	Obtain the MP2 difference density object.
`reference_state`
`timer`	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

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.