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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
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2015-03-24 17:08:41 +01:00
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 Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:34:24 +01:00
scripts Changed Ocaml Installer 2015-03-24 17:08:41 +01:00
src Compiles with gfortran. Closes #33 2015-03-24 09:39:13 +01:00
tests add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
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LICENSE Initial commit 2014-04-01 02:24:45 -07:00
Makefile Compiles with gfortran. Closes #33 2015-03-24 09:39:13 +01:00
README.md INSTALL.md link 2015-01-09 23:53:47 +01:00
setup_environment.sh Changed Ocaml Installer 2015-03-24 17:08:41 +01:00

Quantum package

Gitter

Set of quantum chemistry programs and libraries.

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