group four layer atoms togehter by using equal opposite symmetry rule for movement at x direction
also group each layer of atoms for the same domain set (domain A and domain B)
add some comments in the script and make the initial global vars easier and based on single sorbate
quick start up by specifying the pickup_index
add a case of tridentate in the fast start up
Add a follow-up batch file
also group each sorbate pair automatically, and add a handy switch to print xyz files to visulize model structure
after debug
fix a tiny issue when ouput xyz file
add a switch to print out the bv
consider a more comprehensive case for both half layer and full layer---half done version
finish the leftover part from previous commit
use a global sorbate name instead of Pb
considering split two symmetry sites into two domains, so need to group the associated atoms together. Unfinished work
after fix the conflict
after debug
fix a bug associated with edge-offset
set up angle offset for bindentate binding configuration
set a reference for edge offset
set mirror for each domain