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
toTutorials
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
Files
qiboteam/qibochem-v0.0.1.zip
Files
(166.8 kB)
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Additional details
Related works
- Is supplement to
- Software: https://github.com/qiboteam/qibochem/tree/v0.0.1 (URL)