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Anthony Scemama 46965757c6 Merge pull request #40 from scemama/master

Cleaning of Makefiles and setup

2015-03-26 02:27:12 +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

Corrected ocaml makefile

2015-03-26 02:03:01 +01:00

scripts

Fixed static build with gfortran

2015-03-26 02:16:12 +01:00

src

Improved Ocaml makefile

2015-03-26 01:35:50 +01:00

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

robot option in setup

2015-03-24 17:47:22 +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

Compiles with gfortran. Closes #33

2015-03-24 09:39:13 +01:00

README.md

Update README.md

2015-03-25 11:31:42 +01:00

setup_environment.sh

Improved setup

2015-03-26 01:17:37 +01:00

README.md

Quantum package

![Gitter](https://badges.gitter.im/Join Chat.svg)

Set of quantum chemistry programs and libraries.

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

Languages

Fortran 80.5%

OCaml 9.4%

Python 5.5%

Forth 3.5%

Shell 0.8%

Other 0.1%