lensfieldjumbo /

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** Introduction **

Lensfield2 is tool for managing file transformation workflows, sort-of a
'make' for data.


Unzip the lensfield2-0.1.1 and makes sure that the bin is in your path

The distro contains two examples:
.. gau (gaussian archive conversion)
.. gamessuk

Each has a build file in the top directory. Go to this directory and run (for example in gau)
  lf gaussianArchive2Cml.lf
That should convert 3 *.gau files in a staggered directory into sibling *.cml with the same root.
These files should display in Jmol or Avogadro

If you re-issue the command no conversions take place as everything is up-to-date

At present only one coversion is done for each file, but I shall soon add a second for the gamessuk

PeterMR, with many thanks to Sam