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Anthony Scemama 4b56ae9a3f Merge branch 'LCPQ-master'
2016-07-06 11:30:47 +02:00
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basis Distributed PT2 2016-02-19 00:20:28 +01:00
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 Selection criterion fixed in var_pt2_ratio 2016-07-05 14:03:03 +02:00
.gitignore Removed useless stuff in data (old input files) 2015-01-15 16:44:55 +01:00
list_element.txt Fix qmc pack converter 2016-03-07 10:51:11 +01:00
qp.png QP Logo 2016-03-19 18:22:09 +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

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.