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Published January 9, 2024 | Version v0.0.1
Software Open

qiboteam/qibochem: Qibochem 0.0.1

  • 1. A*STAR
  • 2. University of Milan
  • 3. @N3PDF
  • 4. IHPC, A*STAR

Description

What's Changed

  • Psi4 driver by @damarkian in https://github.com/qiboteam/qibochem/pull/2
  • PySCF as driver by @damarkian in https://github.com/qiboteam/qibochem/pull/3
  • Create molecule.py by @damarkian in https://github.com/qiboteam/qibochem/pull/4
  • Create test_molecule.py by @damarkian in https://github.com/qiboteam/qibochem/pull/5
  • Finish first version of molecular integral driver by @chmwzc in https://github.com/qiboteam/qibochem/pull/6
  • Add functionality to read geometry from .xyz file by @chmwzc in https://github.com/qiboteam/qibochem/pull/7
  • Update molecule.py by @damarkian in https://github.com/qiboteam/qibochem/pull/8
  • Add HF circuit ansatz with JW/BK mapping by @chmwzc in https://github.com/qiboteam/qibochem/pull/9
  • Clean up Molecule class by @chmwzc in https://github.com/qiboteam/qibochem/pull/10
  • Add RHF embedding into Molecule class by @chmwzc in https://github.com/qiboteam/qibochem/pull/11
  • Add UCC ansatz by @chmwzc in https://github.com/qiboteam/qibochem/pull/12
  • Fix bug in expectation.py by @chmwzc in https://github.com/qiboteam/qibochem/pull/13
  • Minor fix to HF embedding by @chmwzc in https://github.com/qiboteam/qibochem/pull/15
  • Minor fix to UCC code for using set_parameters() by @chmwzc in https://github.com/qiboteam/qibochem/pull/16
  • Simplify Hamiltonian functions in Molecule class by @chmwzc in https://github.com/qiboteam/qibochem/pull/19
  • refactoring code with pre-commit by @scarrazza in https://github.com/qiboteam/qibochem/pull/21
  • adding precommit instructions by @scarrazza in https://github.com/qiboteam/qibochem/pull/20
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/28
  • Add some convenience functions for running UCC by @chmwzc in https://github.com/qiboteam/qibochem/pull/27
  • Dev doc202306 by @damarkian in https://github.com/qiboteam/qibochem/pull/30
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/31
  • Poetry and workflow changes by @TL231 in https://github.com/qiboteam/qibochem/pull/29
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/32
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/33
  • moved expectation function and mic changes by @TL231 in https://github.com/qiboteam/qibochem/pull/34
  • Bump tornado from 6.3.2 to 6.3.3 by @dependabot in https://github.com/qiboteam/qibochem/pull/37
  • Scipy dependancybot fix by @TL231 in https://github.com/qiboteam/qibochem/pull/38
  • Merging current progress of docs to main by @damarkian in https://github.com/qiboteam/qibochem/pull/39
  • Misc fixes for doc by @TL231 in https://github.com/qiboteam/qibochem/pull/41
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/44
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/45
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/46
  • Customizable hardware-efficient ansatz by @damarkian in https://github.com/qiboteam/qibochem/pull/43
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/47
  • API documentation by @chmwzc in https://github.com/qiboteam/qibochem/pull/40
  • Basis rotation circuit by @chmwzc in https://github.com/qiboteam/qibochem/pull/35
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/48
  • Dependency update by @TL231 in https://github.com/qiboteam/qibochem/pull/50
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/51
  • Fix expectation with measurements code by @chmwzc in https://github.com/qiboteam/qibochem/pull/52
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/55
  • Set default charge/spin if not given in .xyz file by @chmwzc in https://github.com/qiboteam/qibochem/pull/56
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/57
  • Docs completed by @damarkian in https://github.com/qiboteam/qibochem/pull/58
  • Update init.py to fit pyproject.toml by @damarkian in https://github.com/qiboteam/qibochem/pull/61
  • Update init.py to follow Qibo by @chmwzc in https://github.com/qiboteam/qibochem/pull/62
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/66
  • Fix release issues by @damarkian in https://github.com/qiboteam/qibochem/pull/65
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/qiboteam/qibochem/pull/68
  • Documentation: Edit and move some pages from Getting started to Tutorials by @chmwzc in https://github.com/qiboteam/qibochem/pull/67

New Contributors

  • @damarkian made their first contribution in https://github.com/qiboteam/qibochem/pull/2
  • @chmwzc made their first contribution in https://github.com/qiboteam/qibochem/pull/6
  • @scarrazza made their first contribution in https://github.com/qiboteam/qibochem/pull/21
  • @pre-commit-ci made their first contribution in https://github.com/qiboteam/qibochem/pull/28
  • @TL231 made their first contribution in https://github.com/qiboteam/qibochem/pull/29
  • @dependabot made their first contribution in https://github.com/qiboteam/qibochem/pull/37

Full Changelog: https://github.com/qiboteam/qibochem/commits/v0.0.1

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