PSI4NUMPY

Input File

Description

psi4numpy/cphf

Tests out the CG solver with CPHF Polarizabilities

psi4numpy/rhf-gradient

rhf gradient code

psi4numpy/rhf

A simple Psi 4 input script to compute a SCF reference using Psi4’s libJK

psi4numpy/rhf-hessian

RHF Hessian code

psi4numpy/dfmp2

A simple Psi 4 input script to compute MP2 from a RHF reference

psi4numpy/fci

coded full CI vs. detci