quantum_package

History

Anthony Scemama 4ea46f2b58 Add Titanium image		2016-10-07 21:06:11 +02:00
..
basis	Missing empty lines at end of basis sets	2016-09-20 09:49:20 +02:00
ezfio_defaults	n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance	2015-05-12 15:14:54 +02:00
pseudo	Merge branch 'master' of https://github.com/garniron/quantum_package into garniron-master	2016-07-07 13:30:58 +02:00
.gitignore	Removed useless stuff in data (old input files)	2015-01-15 16:44:55 +01:00
README.rst	Merge branch 'master' of https://github.com/scemama/quantum_package into scemama-master	2016-01-26 14:43:09 +01:00
Titanium.png	Added Titanium image	2016-10-07 20:58:30 +02:00
list_element.txt	Fix qmc pack converter	2016-03-07 10:51:11 +01:00
qp.png	merge with LCPQ	2016-07-06 16:15:47 +02:00

README.rst

====
Data
====


This directory contains all the data files needed for the Quantum Package.

The `basis` directory contains some of the most popular basis sets, and the
`pseudo` directory contains pseudopotential data.