Wishlist: Difference between revisions

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343 bytes added ,  2 April 2012
→‎Cosmetical: add _E.S.D. keywords
(→‎Cosmetical: add _E.S.D. keywords)
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* CORRECT should print out MAXIMUM_NUMBER_OF_PROCESSORS= , and the actual number of processors used. --[[User:Kay|Kay]] 13:55, 12 November 2007 (CET)
* CORRECT should print out MAXIMUM_NUMBER_OF_PROCESSORS= , and the actual number of processors used. --[[User:Kay|Kay]] 13:55, 12 November 2007 (CET)
* CORRECT should print out NBATCH= ; one currently has to "grep NXBIN CORRECT.LP|head -1" to find out.
* CORRECT should print out NBATCH= ; one currently has to "grep NXBIN CORRECT.LP|head -1" to find out.
* INTEGRATE should print out NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= and NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA=
* INTEGRATE should print out NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= and NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA=, as well as  BEAM_DIVERGENCE= BEAM_DIVERGENCE_E.S.D.= 
REFLECTING_RANGE= REFLECTING_RANGE_E.S.D.= if these are given in XDS.INP. The latter enable to reproduce a given run just from the .LP file; the former is less important since one can simply count the number of points along alpha/beta and gamma, respectively, in the printed profiles.


== Notes ==
== Notes ==
See [[old wishes]] to find out which things were implemented.
See [[old wishes]] to find out which things were implemented.
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