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QuAcK: a software for emerging quantum electronic structure methods

License: GNU General Public License v3.0

Shell 1.72% Python 1.52% C 0.21% OCaml 0.77% Fortran 95.69% Makefile 0.10%

quack's Introduction

QuAcK

QuAcK is a small quantum chemistry package which does some weird stuff.

In particular, quack can perform

i) various types of GW calculations (G0W0, evGW, qsGW, etc).

ii) ensemble DFT calculations (under progress)

QuAcK also includes a very slow integral package called IntPak which does compute many types of different integrals.

quack's People

Contributors

arjanberger10 avatar bast avatar pfloos avatar scemama avatar

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