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README.mdH A D27-Jan-2021759 2014

README.md

1## Support for scripting in Siesta
2
3* Compiling support for the embedded Lua interpreter (-DSIESTA__FLOOK
4  pre-processor option, plus linking to the flook library) enables
5  'internal' scripting of some operations in Siesta using Lua
6  scripts. See the documentation for more information.
7
8* Siesta is interfaced to the [AiiDA simulation
9  framework](https://www.aiida.net), through the use of the
10  [aiida-siesta](https://aiida_siesta_plugin.readthedocs.io) package
11  of plugins and workflows.
12
13* The [ASE (Atomic Simulation
14  Environment)](https://wiki.fysik.dtu.dk/ase/) has Siesta as one of
15  its supported calculators.
16
17* Some old experiments for a python interface to Siesta built on top
18  of ASE can be found in the directory `old-python-interface`.
19
20