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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
60 Commits 6 Branches 5 Tags 93 MiB
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Anthony Scemama 62811d792b Bug in Lowdin orthonormalization openMP
2014-05-21 18:35:14 +02:00
data Updated input files with atom labels 2014-04-11 01:56:30 +02:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
scripts Dangerous commit 2014-05-21 16:37:54 +02:00
src Bug in Lowdin orthonormalization openMP 2014-05-21 18:35:14 +02:00
.gitignore Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
LICENSE Initial commit 2014-04-01 02:24:45 -07:00
Makefile Removed wget requirement 2014-04-07 15:45:19 +02:00
README.rst Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
setup_environment.sh CISD OK 2014-05-13 13:57:58 +02:00

README.rst 

===============
Quantum package
===============

Set of quantum chemistry programs and libraries.

For more information, you can visit the
`wiki of the project <http://github.com/LCPQ/quantum_package/wiki>`_