LCPQ/quantum_package

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Thomas Applencourt c1d69942c0 working bug ugly pot_ao_ints

2015-04-10 16:02:21 +02:00

bin

Improved setup scripts to auto-install curl and m4

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

data

Add gitignore to ezfio_default for filter generated file

2015-03-31 11:59:47 +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

add michel routine

2015-04-03 13:34:27 +02:00

scripts

working bug ugly pot_ao_ints

2015-04-10 16:02:21 +02:00

src

working bug ugly pot_ao_ints

2015-04-10 16:02:21 +02:00

tests

Amelioration of unit test

2015-04-01 14:56:52 +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

Update INSTALL.md

2015-03-25 21:01:48 +01:00

LICENSE

Initial commit

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

Makefile

Merge pull request #3 from LCPQ/master

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

README.md

Update README.md

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

setup_environment.sh

Add ezfio support

2015-04-03 18:44:08 +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%