[Jmol-developers] CRYSTAL03 frequencies

[P.Canepa <pc...@ke...>]

Hey Bob,

I added a little variation in the CrystalReader class! Now it can correctly deal with CRYSTAL03 ir frequencies output!
I also checked out the specific case, file : edingtonite_freq.out!

Have a look

Thanks, Piero 

-- 
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc...@ke...
mobile: +44 (0) 7772-9756456
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