Plugin v2rdm_casscf by A. E. DePrince¶
Code author: A. E. DePrince
Section author: Lori A. Burns
A variational 2-RDM-driven CASSCF plugin to PSI4
v2rdm_casscf is available as a conda package for Linux and macOS (and Windows, through the Ubuntu shell).
If using the Psi4conda installer, v2rdm_casscf has already been installed alongside.
If using the PSI4 conda package, the v2rdm_casscf conda package can be obtained through
conda install v2rdm_casscf -c psi4or
conda install psi4-rt -c psi4.
If using PSI4 built from source, and anaconda or miniconda has already been installed (instructions at Quick Installation), v2rdm_casscf can be obtained through
conda install v2rdm_casscf -c psi4. Then, hint its location with
To remove a conda installation,
conda remove v2rdm_casscf.
If using PSI4 built from source and you want v2rdm_casscf built from from source also, build it, then hint its location with