Commit efe237fc authored by Alberto Garcia's avatar Alberto Garcia Committed by Alberto
Browse files

Refactor Util/Scripting

Provide links to current scripting options, and put the old scripts in
a separate subdirectory.
parent 960c8160
......@@ -79,7 +79,9 @@ PyAtom: Python scripts for plotting and data extraction (by A. Garcia)
SCF: Python scripts for smaller stuff (by A. Garcia)
Scripting: Experimental scripting modules in Python (by A. Garcia)
Scripting: Some information about options available, including the use of
Lua and the interface to the AiiDA framework, as well as some
(old) experimental scripting modules in Python (by A. Garcia)
sies2arc: Converts output coordinates to the arc movie format (by
J. Gale)
......
## Support for scripting in Siesta
* Compiling support for the embedded Lua interpreter (-DSIESTA__FLOOK
pre-processor option, plus linking to the flook library) enables
'internal' scripting of some operations in Siesta using Lua
scripts. See the documentation for more information.
* Siesta is interfaced to the [AiiDA simulation
framework](https://www.aiida.net), through the use of the
[aiida-siesta](https://aiida_siesta_plugin.readthedocs.io) package
of plugins and workflows.
* The [ASE (Atomic Simulation
Environment)](https://wiki.fysik.dtu.dk/ase/) has Siesta as one of
its supported calculators.
* Some old experiments for a python interface to Siesta built on top
of ASE can be found in the directory `old-python-interface`.
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