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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
321 Commits 6 Branches 5 Tags 93 MiB
Fortran 80.5%
OCaml 9.4%
Python 5.5%
Forth 3.5%
Shell 0.8%
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Thomas Applencourt 44eac08f21 ezfio interface
2014-12-01 14:57:21 +01:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
data Add all the BasisSet of EMSL, now need EMSL_api.py 2014-11-19 16:12:18 +01:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
f77_zmq f77 folder 2014-12-01 14:56:45 +01:00
ocaml Add documentation to extend qp_edit 2014-11-12 11:25:13 +01:00
scripts Update scripts for irpf90 and ezfio 2014-11-04 01:03:50 +01:00
src ezfio interface 2014-12-01 14:57:21 +01:00
.gitignore Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
LICENSE Initial commit 2014-04-01 02:24:45 -07:00
Makefile Update scripts for irpf90 and ezfio 2014-11-04 01:03:50 +01:00
README.md Update README.md 2014-11-09 18:28:40 +01:00
setup_environment.sh Checking map_integrals.irp.f 2014-10-27 12:40:30 +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