Bob, I just want to confirm that it indeed works and
thank you for the ultra-fast reply/fix!
cheers
Georg
--
Don't Limit Your Business. Reach for the Cloud.
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found it. Fixed. See
http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.15_2015.07.07b.zip (uploading
shortly)
On Tue, Jul 7, 2015 at 8:49 AM, Georg Eickerling
georg.eickerl...@physik.uni-augsburg.de wrote:
Dear all,
this is a feature request for the CrystalReader of jmol. When doing
Dear all,
this is a feature request for the CrystalReader of jmol. When doing
optimizations employing external pressure with CRYSTAL, the output contains
some additional lines starting with the string TOTAL ENERGY which jmol can
not cope with at the moment:
TOTAL ENERGY CORRECTED: EXTERNAL
