Package Structure

Folder Structure

OpenVQE consists of two main modules that are inside the “openvqe” folder::

• UCC Family : This module includes different classes and functions to generate the fermionic cluster operators (fermionic pool) and the qubit pools, and to get the VQE optimized energies in the cases of active and non-active orbital selections.
• adapt includes two sub-modules: :
  • Fermionic-ADAPT/: containing functions performing the fermionic-ADAPT-VQE algorithmic steps in the active and non-active space selections;
  • Qubit-ADAPT/: containing functions that perform the qubit-ADAPT-VQE algorithmic steps calculation in the active and non-active space orbital selections.

SubFolder Structure

• common_files : stores all the internal functions needed to be imported for executing the two modules.
• notebooks: allows the user to run and test the above two modules: UCC Family/ and adapt/.

Updated second version package

1. OpenVQE main diagram showing the folder structure of the package

2. OpenVQE code diagram showing the main structure of the code and their involvement when executing VQE.

The refactoring part for the second version of OpenVQE is collabrated amongst Nathan Vaneberg and Huy Binh Tran under the guidance of Mohammad Haidar

Nathan Vaneberg
Fullstack engineer consultant at Margo, France
LinkedIn