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Anthony Scemama 2f3c451a4e Updated input files with atom labels
2014-04-11 01:56:30 +02:00
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cache Added README.rst in all directories 2014-04-03 16:23:27 +02:00
inputs Updated input files with atom labels 2014-04-11 01:56:30 +02:00
.gitignore Added README.rst in all directories 2014-04-03 16:23:27 +02:00
Makefile Tests more general 2014-04-07 22:47:34 +02:00
README.rst Tests more general 2014-04-07 22:47:34 +02:00

README.rst 

====
Data
====


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

* Input data for the test suites 
* Atomic basis sets

*Important*: EZFIO files are large and should not be tracked by git.

To avoid tracking large binary files with git, only the MD5 digests of the files
present in the directory are tracked. Input EZFIO files should be archived using the
``archive_ezfio.sh`` script. The name of the archive will be the md5 digest.

The new files are automatically downloaded if not present in the ``cache`` directory.