quantum_package/data at v1.0 - quantum_package - IRSAMC git-repository

LCPQ/quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2025-01-14 06:46:07 +01:00

History

Anthony Scemama 4ea46f2b58 Add Titanium image

2016-10-07 21:06:11 +02:00

..

Missing empty lines at end of basis sets

2016-09-20 09:49:20 +02:00

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

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

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

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.