mirror of
https://github.com/pfloos/quack
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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
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| include | ||
| input | ||
| int | ||
| lib | ||
| libxc-tools | ||
| mol | ||
| numgrid-tools | ||
| plot | ||
| qcaml-tools | ||
| scripts | ||
| src | ||
| utils | ||
| .gitignore | ||
| GoHu | ||
| INSTALL.txt | ||
| LICENSE | ||
| Makefile | ||
| README.md | ||
QuAcK
QuAcK is a small quantum chemistry package which does some weird stuff.
In particular, quack can perform
various types of GW calculations (G0W0, evGW, qsGW, etc).
ensemble DFT calculations (under progress)
QuAcK also includes a very slow integral package called IntPak which does compute many types of different integrals.