PSI4NUMPY¶
| Input File | Description |
|---|---|
| psi4numpy/rhf | A simple Psi 4 input script to compute a SCF reference using Psi4’s libJK |
| psi4numpy/fci | coded full CI vs. detci |
| psi4numpy/rhf-gradient | rhf gradient code |
| psi4numpy/rhf-hessian | RHF Hessian code |
| psi4numpy/dfmp2 | A simple Psi 4 input script to compute MP2 from a RHF reference |
| psi4numpy/cphf | Tests out the CG solver with CPHF Polarizabilities |
