LCPQ/quantum_package

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Thomas Applencourt 3f33696950 Merge branch 'master' of github.com:TApplencourt/quantum_package

2015-05-05 15:40:52 +02:00

bin

Improved setup scripts to auto-install curl and m4

2014-10-23 22:40:21 +02:00

data

Fix conflict

2015-04-20 16:08:19 +02:00

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

-p option for pseudos OK

2015-05-04 20:23:06 +02:00

scripts

Touch EZFIO.cfg and ezfio.config when make veryclean for forcing the recompilation of the EZFIO

2015-05-05 11:31:05 +02:00

src

>50% acceleration of int.f90

2015-05-05 15:25:15 +02:00

tests

>50% acceleration of int.f90

2015-05-05 15:25:15 +02:00

.gitattributes

Added gitattributes

2015-04-02 12:30:34 +02:00

.gitignore

Add *.mod and *.p in gitignore

2015-03-26 20:34:02 +01:00

.travis.yml

Merge pull request #3 from LCPQ/master

2015-03-30 12:13:02 +02:00

INSTALL.md

Add Patch requirement for OPEM

2015-04-09 14:03:24 +02:00

LICENSE

Initial commit

2014-04-01 02:24:45 -07:00

Makefile

Change veryclean to delete resultfile

2015-05-04 16:07:53 +02:00

README.md

Update README.md

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

setup_environment.sh

Fixed PATH error

2015-05-04 19:44:09 +02:00

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%