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Example input files need updating #122

@rwest

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@rwest

The example input files need updating

  • Some of them still need translating from XML format!
  • They could all have more comments.
  • The hexadiene example currently requires QM modules - perhaps there could be another version without.
  • There should be an example of everything
  • Also check examples of stand-alone apps and scripts (eg. for estimating properties)

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