PTEROSOR/QuAcK
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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
712 Commits 6 Branches 1 Tag 20 MiB
Fortran 95.7%
Python 2.5%
Shell 1.5%
C 0.2%
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README.md README 2021-10-13 14:14:15 +02:00

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.