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scfgrad
scfgrad
¶
psi4.core.
scfgrad
(
ref_wfn
:
psi4.core.HF
)
→
psi4.core.Matrix
¶
Run scfgrad, which is a specialized DF-SCF gradient program.
table of contents
scfgrad
scfgrad()
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API: Linking C++ and Python
scfgrad