LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity
This repository is version 1 of QP. This version is not supported any more. Version 2 is available here : https://github.com/QuantumPackage/qp2
327 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%
4f630520d1
Go to file
Anthony Scemama 4f630520d1 Added sorting with 3 1st electrons
2014-11-28 19:50:48 +01:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
data Improved qp_edit 2014-11-27 23:05:26 +01:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
ocaml Added sorting with 3 1st electrons 2014-11-28 19:50:48 +01:00
scripts Update scripts for irpf90 and ezfio 2014-11-04 01:03:50 +01:00
src Added sorting with 3 1st electrons 2014-11-28 19:50:48 +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 Repaired irpman 2014-11-07 13:26:47 +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