Fanpy 2.0 ships modular Python classes for dozens of coupled-cluster, geminal, CI, and neural-network wavefunction ansätze, with a FANPT continuation tool to aid convergence.
International Journal of Quantum Chemistry , volume =
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Fanpy 2.0: Wavefunction Implementation and Analysis Tools for Flexible Ansatz Design
Fanpy 2.0 ships modular Python classes for dozens of coupled-cluster, geminal, CI, and neural-network wavefunction ansätze, with a FANPT continuation tool to aid convergence.