orbital names are better tracked through transformations #338
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kottmanj
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Apr 5, 2024
* fixing syntax issue in post_init of dataclass (#327) * phoenics support dropped * more convenient randomization initialization for OO, avoiding numpy warnings * Update qasm.py (#334) Fixes issue #332 * added methods to create annihilation, creation, sz, sp, sm and s2 operators in qubit representation (#336) * Update qasm.py (#335) * Update ci_chemistry_psi4.yml (psi4 --> conda-forge channel) * orbital names are better tracked through transformations (#338) * keep basis info when re-initializing with mol.from_tequila * orbital-optimization gives back molecule in the original basis * more basis info (#339) --------- Co-authored-by: davibinco <[email protected]>
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