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Searched defs:from_chkfile (Results 1 – 2 of 2) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/pyscf/tools/
H A Dfcidump.py123 def from_chkfile(filename, chkfile, tol=TOL, float_format=DEFAULT_FLOAT_FORMAT, function
H A Dmolden.py121 def from_chkfile(filename, chkfile, key='scf/mo_coeff', ignore_h=IGNORE_H): function