mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-25 13:53:43 +01:00
37 lines
640 B
ReStructuredText
37 lines
640 B
ReStructuredText
|
.. _module_dressing:
|
||
|
|
|
||
|
|
.. program:: dressing
|
||
|
|
|
||
|
|
.. default-role:: option
|
||
|
|
|
||
|
|
=========
|
||
|
|
dress_zmq
|
||
|
|
=========
|
||
|
|
|
||
|
|
Module to facilitate the construction of modules using dressed
|
||
|
|
Hamiltonians, parallelized with |ZeroMQ|.
|
||
|
|
|
||
|
|
|
||
|
|
|
||
|
|
|
||
|
|
EZFIO parameters
|
||
|
|
----------------
|
||
|
|
|
||
|
|
.. option:: thresh_dressed_ci
|
||
|
|
|
||
|
|
Threshold on the convergence of the dressed |CI| energy
|
||
|
|
|
||
|
|
Default: 1.e-5
|
||
|
|
|
||
|
|
.. option:: n_it_max_dressed_ci
|
||
|
|
|
||
|
|
Maximum number of dressed |CI| iterations
|
||
|
|
|
||
|
|
Default: 10
|
||
|
|
|
||
|
|
.. option:: dress_relative_error
|
||
|
|
|
||
|
|
Stop stochastic dressing when the relative error is smaller than :option:`perturbation PT2_relative_error`
|
||
|
|
|
||
|
|
Default: 0.001
|