[Wien] Error (bug?) in 3ddens

Laurence Marks L-marks at northwestern.edu
Wed Feb 27 17:36:20 CET 2019


One of my students encountered an error which looks to me like a bug in
3ddens:

Reduction failed at atom:           3
 Length of reduced vector larger than rmt!   2.36000012351689      >
   2.36000000000000
Error in Reduc

I suspect that some variables are single precision in one case, double
precision in another; this is about the size of the difference. Of course
this is probably a special case....

Directory available if needed.

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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