Entos Qcore is a powerful suite of electronic structure and dynamics tools, built on cutting-edge quantum embedding

  • License: Unspecified
  • Home: http://entos.ai
  • 250 total downloads
  • Last upload: 7 days and 22 hours ago

Installers

conda install

  • linux-64  v0.8.4
  • osx-64  v0.8.4
To install this package with conda run:
conda install -c entos qcore

Description

Entos Qcore is a powerful suite of electronic structure and dynamics tools, built on cutting-edge quantum embedding

We recommend installing using the conda-forge channel for the dependencies:

conda install qcore -c entos -c conda-forge

This version is for Academic use only. After installation, each user will be asked to read the Software License Agreement to generate a unique token:

qcore --academic-license

Once generated, entos can then be run:

qcore -s "xtb(structure(molecule=water))"

qcore -s "dft(structure(molecule=water) ao='Def2-SVP' xc=PBE)"

You can find the Qcore user manual here: https://www.entos.info/manual

PRIVACY POLICY  |  EULA (Anaconda Cloud v2.33.29) © 2020 Anaconda, Inc. All Rights Reserved.