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This repository is version 1 of QP. This version is not supported any more. Version 2 is available here : https://github.com/QuantumPackage/qp2
344 Commits 6 Branches 5 Tags 93 MiB
Fortran 80.5%
OCaml 9.4%
Python 5.5%
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Manu 28a733ef8d add primitive basis and correct NEEDED_MODULES
2015-01-09 16:58:24 +01:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
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doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
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src add primitive basis and correct NEEDED_MODULES 2015-01-09 16:58:24 +01:00
.gitignore Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
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setup_environment.sh Checking map_integrals.irp.f 2014-10-27 12:40:30 +01:00

README.md

Quantum package

Gitter

Set of quantum chemistry programs and libraries.

For more information, you can visit the wiki of the project