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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
304 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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Anthony Scemama fb2b7966e1 Determinants check the nb of alpha and beta electrons 2014-11-04 00:10:17 +01:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
data Added VDZ basis set 2014-10-27 22:19:48 +01:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
ocaml Determinants check the nb of alpha and beta electrons 2014-11-04 00:10:17 +01:00
scripts Improved setup_environment.sh 2014-10-29 22:25:30 +01:00
src Added ~mo_tot_num in MO_number.of_int 2014-10-30 12:25:20 +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 Improved setup_environment.sh 2014-10-29 22:25:30 +01:00
README.rst Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
setup_environment.sh Checking map_integrals.irp.f 2014-10-27 12:40:30 +01:00

README.rst 

===============
Quantum package
===============

Set of quantum chemistry programs and libraries.

For more information, you can visit the
`wiki of the project <http://github.com/LCPQ/quantum_package/wiki>`_