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Emmanuel Giner d186d59d40 poule au pot (#80) 
* added becke_numerical_grid/example.irp.f

* added exemples for determinants and bitmask

* added density_for_dft, dft_keywords and data_energy_and_density

* added dft_utils_one_body

* added dft_utils_two_body and it compilates

* added script_CIPSI_RSH.sh

* rm slave_cipsi

* rm slave_cipsi

* added dft_utils_two_body which works

* added scf_utils

* added slater_rules_mono_bielec.irp.f

* remove integrals_bielec_erf

* hatree_fock is ok with scf_utils

* added kohn_sham_range_separated

* added kohn_sham

* cleaning lengthy variables

* split the erf integrals

* added README.rst in hf and ks
2018-12-21 18:16:18 +01:00
..
basis Save MRCC WF 2018-07-24 17:59:14 +02:00
ezfio_defaults Nocurl (#75) 2018-11-20 11:33:07 +01:00
pseudo Save MRCC WF 2018-07-24 17:59:14 +02:00
Symmetry Added character tables 2017-12-15 19:24:18 +01:00
.gitignore Working on doc 2018-11-26 13:45:32 +01:00
module_gitignore poule au pot (#80) 2018-12-21 18:16:18 +01:00
qp.png merge with LCPQ 2016-07-06 16:15:47 +02:00
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

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.