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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
760 Commits 6 Branches 5 Tags 93 MiB
Fortran 80.5%
OCaml 9.4%
Python 5.5%
Forth 3.5%
Shell 0.8%
Other 0.1%
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Anthony Scemama e5748a36e2 Merge pull request #11 from LCPQ/master 
Ninja merge
2015-06-05 15:11:19 +02:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
config Solve bug in gfortran. Need to add -I . But now we have warning... 2015-06-03 11:32:10 +02:00
data n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
doc Add doc 2015-06-05 09:50:24 +02:00
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scripts Add generator for the png tree 2015-06-05 09:56:05 +02:00
src Fix import 2015-06-04 17:37:43 +02:00
testing_no_regression Remove NEEDCHILDREN,inlcude and lib dir And move unit_test 2015-06-04 10:53:43 +02:00
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.gitignore Mega cleaning. 2015-06-02 18:17:59 +02:00
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INSTALL.md Change image name, add image in README.rst, and add Graphviz in dependancy 2015-05-12 10:39:49 +02:00
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README.md

Quantum package

Build Status

Gitter

Set of quantum chemistry programs and libraries.

For more information, you can visit the wiki of the project, or the Install file.