Changeset 356


Ignore:
Timestamp:
Dec 4, 2009 5:04:45 PM (11 years ago)
Author:
toby
Message:

# on 2000/11/27 21:10:45, toby did:
define XYZU+-F

File:
1 edited

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  • trunk/doc/expgui6.html

    • Property rcs:date changed from 2000/11/21 21:21:57 to 2000/11/27 21:10:45
    • Property rcs:lines changed from +3 -1 to +15 -4
    • Property rcs:rev changed from 1.7 to 1.8
    r346 r356  
    9999When the "New Constraint" button is pressed, a blank constraint editing
    100100window is opened. Note that any variable to the right may then be selected,
    101 including two special codes, Uxx and XYZU. XYZU creates four constraints,
     101including three special codes, Uxx, XYZU and XYZU+-F.
     102<UL><LI>
     103XYZU creates
     104four constraints,
    102105requiring the shifts on x, y, z and Uiso to be the same for all the selected
    103 atoms. Uxx does the same for the six anisotropic displacement parameters.
    104 These special codes are valuable for atoms that share a site.
     106atoms.
     107<LI>
     108Uxx does the same for the six anisotropic displacement parameters.
     109<LI>
     110<a name="XYZUF"></a>XYZU+-F is used for pairs of atoms where
     111the shifts on x, y, z and Uiso are required to be equal, but the shifts
     112on Frac are opposite.
     113</UL>
     114These special codes are valuable for atoms that share a site or are
     115otherwise grouped together.
    105116<P>
    106117<a name="AtomConstraintsMax"></a>
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