Navigation
Index
modules
·
1.2.1
·
P
SI
4
P
SI
4
API: Linking C++ and Python
scfgrad
¶
psi4.core.
scfgrad
(
arg0: psi::Wavefunction
)
→ psi::Matrix
¶
Run scfgrad, which is a specialized DF-SCF gradient program.
«
hide menu
menu
sidebar
»
Navigation
Index
modules
·
1.2.1
·
P
SI
4
P
SI
4
API: Linking C++ and Python