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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
759 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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Thomas Applencourt 4fedc72749 First try of new setup
2015-06-05 22:33:19 +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 First try of new setup 2015-06-05 22:33:19 +02:00
install/scripts First try of new setup 2015-06-05 22:33:19 +02:00
ocaml Try to merge... 2015-06-03 14:03:11 +02:00
scripts First try of new setup 2015-06-05 22:33:19 +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
.gitattributes Added gitattributes 2015-04-02 12:30:34 +02:00
.gitignore Mega cleaning. 2015-06-02 18:17:59 +02:00
.travis.yml Cleaning but qp_ninja is now long... 2015-06-04 17:01:50 +02:00
COMPILE_RUN.md Modify ref value to good one 2015-06-03 18:55:29 +02:00
INSTALL.md Change image name, add image in README.rst, and add Graphviz in dependancy 2015-05-12 10:39:49 +02:00
LICENSE Initial commit 2014-04-01 02:24:45 -07:00
README.md Update README.md 2015-03-25 11:31:42 +01:00

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.