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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
447 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 18b038e06d Corrected little bugs
2015-04-01 13:22:00 +02:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
data Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:34:24 +01:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
include Installation of zlib 2015-01-12 19:14:00 +01:00
lib Installation of zlib 2015-01-12 19:14:00 +01:00
ocaml Corrected SegFault with ifort 2015-03-26 23:38:40 +01:00
scripts Fixed IRPF90 environment variable 2015-03-27 09:45:37 +01:00
src Corrected little bugs 2015-04-01 13:22:00 +02:00
tests add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
.gitignore Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
.travis.yml Fixed IRPF90 environment variable 2015-03-27 09:45:37 +01:00
INSTALL.md Update INSTALL.md 2015-03-25 21:01:48 +01:00
LICENSE Initial commit 2014-04-01 02:24:45 -07:00
Makefile Corrected #33 2015-03-27 08:43:11 +01:00
README.md Update README.md 2015-03-25 11:31:42 +01:00
setup_environment.sh Fixed IRPF90 environment variable 2015-03-27 09:45:37 +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.