forked from Lainports/opnsense-ports
4 lines
113 B
Python
4 lines
113 B
Python
from pyscf import gto, scf
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mol = gto.M(atom='H 0 0 0; H 0 0 1.2', basis='cc-pvdz')
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mf = scf.RHF(mol)
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mf.kernel()
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