LCPQ/quantum_package

Fork 0

mirror of https://github.com/LCPQ/quantum_package synced 2025-03-21 08:06:49 +01:00

Go to file

Manu 1291270ee9 modified minor things in DDCI

2015-03-16 17:18:52 +01:00

bin

Improved setup scripts to auto-install curl and m4

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

data

Added var_pt2_ratio program to stop at a constant ratio variational/(variational+PT2)

2015-02-23 12:37:43 +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

Changed bitmask_reference to bitmask_cas

2015-03-02 12:06:31 +01:00

scripts

qp_set_frozen_core.py accepts 0 core MOs

2015-02-23 14:26:07 +01:00

src

modified minor things in DDCI

2015-03-16 17:18:52 +01:00

.gitignore

Added MOs and bitmasks

2014-04-03 01:59:48 +02:00

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

Removed input_cis.ml

2015-01-19 16:41:21 +01:00

README.md

INSTALL.md link

2015-01-09 23:53:47 +01:00

setup_environment.sh

Install resultsFile

2015-01-19 15:45:05 +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%