https://github.com/alejandrogallo/sisi4s

Massively parallel electronic structure code for experimentation
https://github.com/alejandrogallo/sisi4s

ccsd ccsdt coupled-cluster ctf einstein-notation eomcc hartree-fock libint mp2 nwchem quantum-chemistry rpa tensor-algebra turbomole vasp

Last synced: 26 days ago
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Massively parallel electronic structure code for experimentation

• Host: GitHub
• URL: https://github.com/alejandrogallo/sisi4s
• Owner: alejandrogallo
• License: apache-2.0
• Created: 2022-09-15T08:02:16.000Z (over 2 years ago)
• Default Branch: master
• Last Pushed: 2024-05-15T19:03:05.000Z (7 months ago)
• Last Synced: 2024-05-16T06:32:41.817Z (7 months ago)
• Topics: ccsd, ccsdt, coupled-cluster, ctf, einstein-notation, eomcc, hartree-fock, libint, mp2, nwchem, quantum-chemistry, rpa, tensor-algebra, turbomole, vasp
• Language: C++
• Homepage: https://alejandrogallo.github.io/sisi4s
• Size: 47 MB
• Stars: 4
• Watchers: 3
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.org
  • License: LICENSE

Awesome Lists containing this project

README

        
#+title: SiSi4S

#+PROPERTY: header-args+ :noweb yes :comments noweb :mkdirp t

#+begin_export rst

.. toctree::

   :maxdepth: 2

   manual

#+end_export

* About this document

You can find the manual of this project in

- [[https://alejandrogallo.github.io/sisi4s/manual.html][Manual]]

or if you prefer reading the source code with Doxygen there is also a built

of doxygen available:

- [[https://alejandrogallo.github.io/sisi4s/doxygen/html/index.html][Doxygen]]

* How to cite

If you need to cite this algorithm

before the proper paper is released please contact me.

In the mean time the code has been used in

[[https://aip.scitation.org/doi/10.1063/5.0074936][this publication]] and can therefore been cited.