Merge pull request #3 from pace-neutrons/intro

Flesh out landing page; add CCSD data link to MLIP tut

source/index.rst

@@ -3,10 +3,43 @@
    You can adapt this file completely to your liking, but it should at least
    contain the root `toctree` directive.
 
-Welcome to Abins Tutorials!
+Welcome to AbINS Tutorials!
 ===========================
 
-Hopefully some tutorial files will make their way here eventually.
+This site collects some tutorials for advanced users of the AbINS
+programs for simulation of inelastic neutron scattering phonon
+spectra.
+
+The code is available from
+https://github.com/pace-neutrons/abins-tutorials : the "source" folder
+contains this documentation, while the other folders contain
+demonstration programs and some reference data.
+
+The demonstration programs are designed to be somewhat useful
+interactively: try running them with the "\-\-help" option
+(e.g. ``mlip_phonopy/mlip_phonopy.py --help``) to see available
+options. You should be able to point them at your own structure files
+and have them do something useful --- but the more important goal is to
+demonstrate principles and code idioms highlighted in the tutorials.
+
+Other documentation
+-------------------
+
+The basic documentation for the AbINS algorithms is found on the
+Mantid website:
+
+- `Abins Algorithm <https://docs.mantidproject.org/nightly/algorithms/Abins-v1.html>`_
+- `Abins2D Algorithm <https://docs.mantidproject.org/nightly/algorithms/Abins2D-v1.html>`_
+
+with some further details in the "concepts" section
+
+- `Structure factor calculation method <https://docs.mantidproject.org/nightly/concepts/DynamicalStructureFactorFromAbInitio.html>`_
+- `Development notes <https://docs.mantidproject.org/nightly/concepts/AbinsImplementation.html>`_
+- `Fast approximate broadening algorithm <https://docs.mantidproject.org/nightly/concepts/AbinsInterpolatedBroadening.html>`_
+
+The academic reference for AbINS is the research paper in Physica B. [#Dymkowski2018]_
+
+.. [#Dymkowski2018]   \K. Dymkowski et al. (2018) "AbINS: The modern software for INS interpretation" *Physica B: Cond. Matter* **551** 443-448
 
 .. toctree::
    :maxdepth: 2

source/mlip-phonopy.rst

@@ -52,10 +52,10 @@ Step 1: geometry optimisation
 =============================
 
 
-First, we grab an input structure for hexane from the CCSD in CIF
-format. The file provided by CCSD has already been converted to a
+First, we grab an `input structure for hexane from the CCSD <https://doi.org/10.5517/cc3gcpl>` in CIF format.
+Here the file provided by CCSD has already been converted to a
 simpler format and saved as a "geometry.in" file in the FHI-aims
-format. (As we will be using ASE we can work with whichever format
+format. (As we will be using ASE, we can work with whichever format
 looks the nicest!)
 
 We then optimise the geometry with a very fine force criterion, in