The public repository of the Chronus Quantum (ChronusQ) Software Package
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basis Bug Fixes: May 17, 2018
bin BETA 0.2.0 Jul 14, 2018
cmake BETA 0.2.0 Jul 14, 2018
external BETA 0.2.0 Jul 14, 2018
include Fixed a bug in SMP direct contraction Aug 2, 2018
src BETA 0.2.0 Jul 14, 2018
tests BETA 0.2.0 Jul 14, 2018
.gitignore BETA 0.2.0 Jul 14, 2018
AUTHORS BETA 0.2.0 Jul 14, 2018
CHANGELOG.md BETA 0.2.0 Jul 14, 2018
CITE.txt BETA 0.2.0 Jul 14, 2018
CMakeLists.txt BETA 0.2.0 Jul 14, 2018
Doxyfile Initial Commit of ChronusQ Rewrite. Jun 24, 2017
LICENSE Initial Commit of ChronusQ Rewrite. Jun 24, 2017
README.md BETA 0.2.0 Jul 14, 2018
gencov.sh Added generation of coverage reports May 17, 2018

README.md

The Chronus Quantum (ChronusQ) Software Package [v. Beta] - A high-performance computational chemistry software package with a strong emphasis on explicitly time-dependent and post-SCF quantum mechanical methods.

Copyright (C) 2014-2018 Li Research Group (University of Washington)

For example input files, see the tests directories.

Found a Bug? Open a GitHub issue!

Information:

  • For more information regarding installation of ChronusQ, see the Wiki!
  • For more information regarding the dependencies of ChronusQ, see the Wiki!
  • For more information regarding how to cite ChronusQ, see CITE.txt
  • General inquiries? Contact xsli at uw dot edu