Qibochem

Latest version: v0.0.3

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0.0.3

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/83
* Refactor tests to use pytest.parametrize by chmwzc in https://github.com/qiboteam/qibochem/pull/85
* Updating/Merging main into dev_basisrotation by damarkian in https://github.com/qiboteam/qibochem/pull/87
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/89
* merging from main by damarkian in https://github.com/qiboteam/qibochem/pull/90
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/92
* Basis rotation in arxiv:2207.03949 with standard gates by damarkian in https://github.com/qiboteam/qibochem/pull/88
* Refactor molecular Hamiltonian code by chmwzc in https://github.com/qiboteam/qibochem/pull/91
* Refactor code for some ansatzes by chmwzc in https://github.com/qiboteam/qibochem/pull/86
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/93
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/96
* Givens gate in basis_rotation.py by damarkian in https://github.com/qiboteam/qibochem/pull/98
* Bump idna from 3.6 to 3.7 by dependabot in https://github.com/qiboteam/qibochem/pull/99
* Bump pillow from 10.2.0 to 10.3.0 by dependabot in https://github.com/qiboteam/qibochem/pull/94
* Documentation for basis rotation ansatz by damarkian in https://github.com/qiboteam/qibochem/pull/97
* Reduce measurement cost using qubit-wise commutativity by chmwzc in https://github.com/qiboteam/qibochem/pull/95
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/100
* Bump tqdm from 4.66.1 to 4.66.3 by dependabot in https://github.com/qiboteam/qibochem/pull/101
* Bump jinja2 from 3.1.3 to 3.1.4 by dependabot in https://github.com/qiboteam/qibochem/pull/102


**Full Changelog**: https://github.com/qiboteam/qibochem/compare/v0.0.2...v0.0.3

0.0.2

What's Changed
* Post-release documentation updates by chmwzc in https://github.com/qiboteam/qibochem/pull/70
* Bump jinja2 from 3.1.2 to 3.1.3 by dependabot in https://github.com/qiboteam/qibochem/pull/73
* Bump pillow from 10.1.0 to 10.2.0 by dependabot in https://github.com/qiboteam/qibochem/pull/74
* Add convenience function for building the UCCSD ansatz by chmwzc in https://github.com/qiboteam/qibochem/pull/69
* Documentation updates by yjmaxpayne in https://github.com/qiboteam/qibochem/pull/76
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/77
* Change Molecule.nelec to the total number of electrons by chmwzc in https://github.com/qiboteam/qibochem/pull/72
* Minor bug fix by chmwzc in https://github.com/qiboteam/qibochem/pull/79
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/qiboteam/qibochem/pull/81
* Improvements to expectation_from_samples code by chmwzc in https://github.com/qiboteam/qibochem/pull/59
* Fix HF embedding bug by chmwzc in https://github.com/qiboteam/qibochem/pull/80

New Contributors
* yjmaxpayne made their first contribution in https://github.com/qiboteam/qibochem/pull/76

**Full Changelog**: https://github.com/qiboteam/qibochem/compare/v0.0.1...v0.0.2

0.0.1

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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