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@kottmanj kottmanj released this 03 Aug 20:30
· 98 commits to master since this release
v.1.8.9
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Learn about vigilant mode.

  • better messages for madtequila (#291)

  • qubit encodings consistency (#294)

  • more consistency in HCB approximation and SPA wavefunctions (#295)

  • more consistency in HCB approximation and SPA wavefunctions

  • keeping up to date with pyscf and setting parse_arg=False in mol constructor (mainly blocks pytest commands)

  • added plot2cube support to madness interface (#296)

  • Update madness_interface.py

  • dropping noisy simulation support in qulacs -- no longer maintained

  • fixing small issue in tests regarding scipy 1.11 release

  • adding args/kwargs to psi4.compute_rdms function

  • adding return to call of base class in psi4.compute_rdms function

# create cube files form madness orbitals
mol = tq.Molecule(geometry="myfile.xyz")
mol.plot2cube(orbital=2) # plots active orbital 2 to a cube file
  • preparing for hcb merge (#293)
    mol.compute_rdms(use_hcb=True) is now enabled for spin-free matrices. Allows to compute RDMs with half the qubits (given that the circuit is in HCB encoding).
  • Implementing HCB rdm on general compute_rdms()
  • consistency in rdm computation with hcb for reordered transformations
  • fixes hcb_rdms and Tests rdms_hcb

Co-authored-by: Javier del Arco [email protected]
Co-authored-by: J. S. Kottmann [email protected]

  • enabled HCB in orbital optimization, can be done via tq.chemistry.opt… (#297)
  • enabled HCB in orbital optimization, can be done via tq.chemistry.optimize_orbitals(...,use_hcb=True)
# orbital optimization with hardcore-boson circuits
U = mol.make_ansatz("HCB-UpCCD")
opt = tq.chemistry.optimize_orbitals(circuit=U, molecule=mol, initial_guess=guess, use_hcb=True)
  • small issue in consistency test, silenced unnecesarry warning
  • QASM string parsing bug (#298)

Co-authored-by: Praveen Jayakumar [email protected]

  • Update requirements.txt
  • Fix NumPy float and int (#301)

Co-authored-by: JdelArco98 [email protected]
Co-authored-by: Javier del Arco [email protected]
Co-authored-by: Praveen Jayakumar [email protected]
Co-authored-by: Praveen Jayakumar [email protected]
Co-authored-by: Erik Kjellgren [email protected]

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