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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
416 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 c8258a48bd Upgrade irpf90
2015-03-25 11:42:15 +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 Introduce ezfio_interface.py and EZFIO.cfg in Full_CI 2015-03-24 19:52:01 +01:00
scripts Upgrade irpf90 2015-03-25 11:42:15 +01:00
src Fixed EZFIO.cfg 2015-03-25 10:54:17 +01:00
tests add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
.gitignore Introduce ezfio_interface.py and EZFIO.cfg in Full_CI 2015-03-24 19:52:01 +01:00
.travis.yml robot option in setup 2015-03-24 17:47:22 +01:00
INSTALL.md Added INSTALL.md 2015-01-09 23:52:44 +01:00
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 robot option in setup 2015-03-24 17:47:22 +01:00

README.md

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.