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