MESMER Code

Add <description> and tidy metadata

spinMultiplicity now an attribute on <molecule>
Make NaN a const double

Add Getting Started tutorial and updated xsl files.
Remove timestamps from XML filenames and save with _prev suffix any existing files about to be overwritten.
Further simplification of parsing (more to be done).

Some formatting of XSL files.

Display (reverse) for reverse ILT

* Added project title: XML tag, member variable in System, displayed when
XML transformed by mesmer1.xsl.
Add a title to XML files in MesmerQA.

* Output Bartis-Widom rates to XML file in a new section <analysis>
Update mesmer1/xsl to display this section and with other cosmetic changes.

* Update mesmerdiag.xsl to show activation energy barriers, and handle
reactions with no product energy.

* Corrected some memory leaks by deleting reactions in the ReactionManager
destructor. This showed up incorrect deletion of m_sourcemap (not assigned
by new) in AssociatioReaction and IrreversibleExhangeReaction.

* Added licence text at the top of main.cpp. This will need to be in every file.

* Trivial numerical differences in Acetyl O2 association QA test, which I don't
think I caused. Assuming ok, but needs updating.

Make datafiles work with with XSLT tab in XMLNotepad