qiskit-community / prototype-entanglement-forging Goto Github PK

When looking at systems that break time reversal symmetry, we have Hamiltonians that are complex valued and the resulting wave-functions are complex valued as well. Entanglement forging code can be upgraded to be able to treat these systems.

Potential solution:

1. Modify modules that generate the Hamiltonian via the Cholesky decomposition to be compatible with imaginary terms in the 2N qubit Hamiltonian.
2. Test that the ClassicalEnergies class is compatible with these changes.
3. Add additional linear superposition related to (+/- i) in the make_stateprep_circuits function such that all superposition circuits can be created as needed. A flag can be created to invoke the additional superposition circuits when needed.

Something along these lines maybe:

Make header of README more clear and upload a higher-res image.

Describe the bug

Several links are broken in the reference guide due to wrong setup of the relative links.

To Reproduce
Click two links to the Explanatory Materials in this section and one link to the Explanatory Materials in this section.

Expected behavior
Working links

Additional context
Add any other context about the problem here.

Any suggestions?
Remove . in front of /docs/ in the relative links.

Is your feature request related to a problem? Please describe.
In the current implementation, it's not possible to treat the spin up and spin down subsystems differently.

Describe the solution you'd like
Breaking the U=V symmetry so that U ≠ V.

Additional context
This will be made possible after the new expectation values primitive is merged into qiskit terra.

The references section of the README can be updated to point to the version in PRX:

https://journals.aps.org/prxquantum/abstract/10.1103/PRXQuantum.3.010309

Is your feature request related to a problem? Please describe.
It would be useful to be able to compute generic observables.

Describe the solution you'd like
The ability to evaluate generic operators of the form X = \sum_\mu A_\mu \otimes B_\mu where A_\mu and B_\mu are weighted Pauli operators acting on the first and second halves of the partition respectively.

Additional context
Some examples of observables that might be interesting are 1-body and 2-body matrices.

The 1-body matrices are used for:

• electrostatic properties
• electronic densities
• molecular electrostatic potential

2-body matrices are used for:

• orbital optimization
• analysis of correlation functions

The combination of both is used in entanglement analysis.

Is your feature request related to a problem? Please describe.

Tutorial 4 uses QASM simulator instead of Statevector simulator. It's unclear to me the difference of the two kinds of simulators and when a user should choose one or the other.

Describe the solution you'd like
I think it would be a good idea to add a section in the Explanatory Material to explain the difference of the two simulators and discuss when a user should choose one or the other and add a link to the section in Tutorial 4.

Additional context
None.

In some instances, the latest entanglement forging release may not be compatible with the latest Qiskit. In those cases, users may want to install from source while they wait for the fixed release

Is your feature request related to a problem? Please describe.
With the current version of Entanglement Forging, it's not possible to model open-shell species.

Describe the solution you'd like
Having the option to specify different bitstrings for spin-up/spin down orbitals would make it possible to model open-shell species.

Additional context
N/A

Describe the bug

• README : License link should be relative
• README : TOC should use the names Reference Guide and Explanatory Material
• README > Contribution guidelines : Broken link under "Contribution guide"
• CONTRIBUTING > Pull request checklist > 1 : Should read Entanglement Forging uses Pylint and PEP8...
• Reference guide : contributing material should be moved to CONTRIBUTING
• Reference guide > Initial set-up and installing dependencies > 3 : The name of the repo should be prototype-entanglement-forging
• Reference guide > Making a pull request : External contributors should fork the repo first, clone their own fork, and open a PR from there.
• Reference guide > Making a pull request > 3 : The name of the directory should not be /forging but prototype-entanglement-forging
• Reference guide > Making a pull request > 4 : Reviewers should be Aggie Branczyk and Caleb Johnson.
• Issue Templates > Bug Report > To Reproduce : misspelled word example

Additional context
Many of these were likely caused when renaming, and migrating the repo.

QMolecule is deprecated in Qiskit Nature. Remove all dependency from this class.

Describe the bug
It fails to install.

To Reproduce

1. Clone this repo
2. pip install -e .

...
Building wheels for collected packages: pyscf
  Building wheel for pyscf (setup.py) ... error
  error: subprocess-exited-with-error

  × python setup.py bdist_wheel did not run successfully.
  │ exit code: 1
  ╰─> [7 lines of output]
      running bdist_wheel
      running build
      running build_ext
      cmake -S/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib -Bbuild/temp.linux-x86_64-cpython-310
      CMake Error: The source directory "/tmp/pip-install-_irpoc6i/pyscf_38d39720820e4357b00d91660707e3f0/pyscf/lib" does not appear to contain CMakeLists.txt.
      Specify --help for usage, or press the help button on the CMake GUI.
      error: command '/usr/bin/cmake' failed with exit code 1
      [end of output]

  note: This error originates from a subprocess, and is likely not a problem with pip.
  ERROR: Failed building wheel for pyscf
  Running setup.py clean for pyscf
Failed to build pyscf
ERROR: Could not build wheels for pyscf, which is required to install pyproject.toml-based projects

Expected behavior
Should install

Additional context

Any suggestions?
Update the pySCF version.

Describe the bug

• README > Contribution guidelines :
• `` :
• `` :
• `` :
• `` :
• `` :
• `` :
• `` :
• `` :
• `` :
• `` :

To Reproduce
Give some steps that show the bug. A minimal working exampl of code with output is best. If you are copying in code, please remember to enclose it in triple backticks, [multiline code goes here], so that it displays correctly.

Expected behavior
A clear and concise description of what you expected to happen.

Additional context
Add any other context about the problem here.

Any suggestions?
Not required, but if you have suggestions for how a contributor should fix this, or any problems we should be aware of, let us know.

Is your feature request related to a problem? Please describe.
Currently we cannot print out U and V matrices format

Describe the solution you'd like
Option to print out U and V matrices

Additional context
Add any other context or screenshots about the feature request here.