It is posible to print the OPDM and TPDM for a CISD calculation ? In that case, can anyone help me to print it ?
If you use the detci
module the following will work for you: https://github.com/psi4/psi4/issues/477
Thanks for the help ! : -)
It is posible to print the OPDM and TPDM for a CISD calculation ? In that case, can anyone help me to print it ?
If you use the detci
module the following will work for you: https://github.com/psi4/psi4/issues/477
Thanks for the help ! : -)