Batch dehydrogenation

This program removes one atom from a molecular chain, elongating a bond to make the initial guess of a transition state. It is specially thinked for dehydrogenation reactions. This program is helpful when coupled with the Improved Dimer Method. Couple this program with a script that generates for you the temporal input files you need and move the output to the corresponding POSCARs in the desired folder.

Please see instructions in the breaker.tgz, and execute the example before further using.

Golder rules for made your script:

Think at least 5 different ways to do it, and then choose the better, simpler, more elegant. 
Your initial idea is probably a very bad one. 
Think, then do.