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Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
https://quantumpackage.github.io/qp2/
08283385ed
First merge to set up read the docs. Still beta version. |
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bin | ||
config | ||
data | ||
docs | ||
etc | ||
include | ||
man | ||
ocaml | ||
scripts | ||
src | ||
tests | ||
.gitattributes | ||
.gitignore | ||
.travis.yml | ||
CITATION.cff | ||
configure | ||
GITHUB.md | ||
INSTALL.rst | ||
LICENSE | ||
Makefile | ||
quantum_package.rc | ||
README.md | ||
REPLACE | ||
TODO |
Quantum Package
A programming environment for wave function methods