@method settings

The method settings section defines task-independent parameters for the computational method.

backend
Description	Sets the Integral/SCF backend. The chosen backend affects only the SCF part of the calculation. Penguin itself is entirely agnostic to the chosen backend.
Type	str
Default	vlx
Options	vlx sets VeloxChem as the used backend pyscf sets PySCF as the used backend

basis
Description	Specifies the basis set to be used in the calculation.
Type	str
Default	None
Options	The available basis sets depend on the chosen integral/SCF backend We refer to the documentation of the backend for the list of supported basis sets

auxbasis
Description	Sets the auxiliary basis set used in the calculation. Used for methods requiring auxiliary basis sets, such as density fitting.
Type	str
Default	None
Availability	Only relevant for the pyscf backend
Options	The available auxiliary basis sets depend on the chosen integral/SCF backend We refer to the documentation of the backend for the list of supported auxiliary basis sets