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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
283 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 b45b950717 Printing determinants with Nint > 1
2014-10-29 00:50:59 +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 Printing determinants with Nint > 1 2014-10-29 00:50:59 +01:00
scripts Corrected S^2 eigenfunction bug 2014-10-28 17:56:29 +01:00
src Corrected S^2 eigenfunction bug 2014-10-28 17:56:29 +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 scripts 2014-10-23 23:44:46 +02:00
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>`_