Hi,
When setting up a bond angle soft constraint in GSAS, one needs to input the
atomic sequence numbers for the three atoms. However, if two of the three atoms
are the same and have the equivalent positions (e.g., Si-O-Si), the two atoms
have the same sequence number from the atomic list. GSAS seems to only accept
three different atomic sequence numbers. What should be done?
Thanks,
Jie
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