mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 04:43:50 +01:00
| .. | ||
| basis | ||
| cache | ||
| inputs | ||
| .gitignore | ||
| ezfio_defaults | ||
| Makefile | ||
| periodic-table | ||
| 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 * List of built executables *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.