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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
387 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 487ec77613 Added CAS_SD and generators_CAS
2015-03-02 13:58:00 +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 Added CAS_SD and generators_CAS 2015-03-02 13:58:00 +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

Set of quantum chemistry programs and libraries.

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