Navigation
Index
modules
·
1.10a1.dev62
·
P
SI
4
P
SI
4
API: Linking C++ and Python
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()
«
hide menu
menu
sidebar
»
Navigation
Index
modules
·
1.10a1.dev62
·
P
SI
4
P
SI
4
API: Linking C++ and Python
scfgrad