feat: Add support for fermions in a harmonic oscillator potential - #113
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ChignoliPaolo wants to merge 1 commit into
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feat: Add support for fermions in a harmonic oscillator potential#113ChignoliPaolo wants to merge 1 commit into
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ChignoliPaolo
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Jul 9, 2026
ChignoliPaolo
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- Added harmonic potential support to hamiltonian.py.
- Configured Exact Gaussian envelopes in envelopes.py.
- Used exact analytical orbitals for non-interacting fermions in pretrain.py instead of PySCF when using harmonic potential.
- Adapted MCMC step and initialization scales by frequency in train.py.
- Updated configurations in base_config.py to support the 'harm' potential.
- Added harmonic potential support to hamiltonian.py. - Configured Exact Gaussian envelopes in envelopes.py. - Used exact analytical orbitals for non-interacting fermions in pretrain.py instead of PySCF when using harmonic potential. - Adapted MCMC step and initialization scales by frequency in train.py. - Updated configurations in base_config.py to support the 'harm' potential.
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