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pyscf.data package¶

Submodules¶

pyscf.data.elements module¶

pyscf.data.elements.charge(symb_or_chg)¶

pyscf.data.elements.is_ghost_atom(symb_or_chg)¶

pyscf.data.gyro module¶

pyscf.data.nist module¶

NIST physical constants

https://physics.nist.gov/cuu/Constants/ https://physics.nist.gov/cuu/Constants/Table/allascii.txt

pyscf.data.nucprop module¶

pyscf.data.nucprop.g_factor_to_gyromagnetic_ratio(g)¶: Larmor freq in Hz

pyscf.data.nucprop.get_nuc_g_factor(symb_or_charge, mass=None)¶

pyscf.data.radii module¶

Module contents¶

Physical constants and other useful data