Plugin v2rdm_casscf by A. E. DePrince

Code author: A. E. DePrince

Section author: Lori A. Burns

https://img.shields.io/badge/home-v2rdm_casscf-5077AB.svg
https://img.shields.io/badge/docs-latest-5077AB.svg

A variational 2-RDM-driven CASSCF plugin to PSI4

Installation

Binary

  • https://anaconda.org/psi4/v2rdm_casscf/badges/version.svg

  • 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 psi4 or 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 PYTHONPATH.

  • To remove a conda installation, conda remove v2rdm_casscf.

Source

  • https://img.shields.io/github/tag/edeprince3/v2rdm_casscf.svg?maxAge=2592000

  • If using PSI4 built from source and you want v2rdm_casscf built from from source also, build it, then hint its location with PYTHONPATH.