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Emmanuel Giner 2127503405 added tests for all_1h_1p
2016-02-16 12:34:04 +01:00
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basis added tests for all_1h_1p 2016-02-16 12:34:04 +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 Pseudo in OCaml 2016-01-25 15:44:15 +01:00
.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

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.