The Gnu Xtal System User's Manual
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Chapter 3. Program controls
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3.12.
CHARGE
: Atomic charges from difference density
CHARGE
Option
Code
Arg
Def
weighting function
density
promolecular density
potential
promolecular potential
inclusion region
border
n
max edge distance
6
atom range
contact
n
max atom distance
6
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CBAZA
: Add crystal based azimuthal PSI angle
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CIFIO
: Input and output CIF data