Skip to content

Latest commit

 

History

History
 
 

calcbvsnacl

Folders and files

NameName
Last commit message
Last commit date

parent directory

..
 
 
 
 
 
 

Calculate bond valence sums for NaCl

This example shows how to evaluate bond valence sums using the diffpy.srreal module in DiffPy-CMI. BVS calculator uses a standard set of bond valence parameters obtained from a lookup table. Bond valence parameters can be set to custom values. Multiple BVS calculator objects can be created, where each one has separate lookup table and optionally different valence parameters.