PTEROSOR/QuAcK
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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
565 Commits 5 Branches 1 Tag 21 MiB
Fortran 93.4%
Python 2.6%
Shell 1.5%
Cuda 1.4%
C 1%
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README.md

QuAcK

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

In particular, quack can perform

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

  2. ensemble DFT calculations (under progress)

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