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Version 1.9.5 #340

Merged
merged 13 commits into from
Apr 5, 2024
Merged

Version 1.9.5 #340

merged 13 commits into from
Apr 5, 2024

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kottmanj
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@kottmanj kottmanj commented Apr 5, 2024

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kottmanj and others added 13 commits February 27, 2024 21:26
* fixing syntax issue in post_init of dataclass
* phoenics dropped due to maintenance resources
* more convenient randomization initialization for OO, avoiding numpy warnings
…erators in qubit representation (#336)

* added methods to create annihilation, creation, sz, sp, sm and s2 operators in qubit representation
* Added documentation and make number operator method
* Update qasm.py
* Update ci_chemistry_psi4.yml (psi4 --> conda-forge channel)
* Update README.md
* fix doc in fermionic operators for molecule, now spin-orbital is specified
* add doc for spin-orbital order
* orbital names are better tracked through transformations
* keep basis info when re-initializing with mol.from_tequila
* orbital-optimization gives back molecule in the original basis
@kottmanj kottmanj merged commit a395e3b into master Apr 5, 2024
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@kottmanj kottmanj deleted the kottmanj-update-1.9.5 branch April 5, 2024 11:48
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2 participants