modified main. rearranged placement of "try" and "catch" segments of exception handling scheme. moved it closer to the atom solver segment. removed the while loop wrapping around the entire simulation. cleaned up the code, removed empty spaces.
modified main. rearranged placement of "try" and "catch" segments of exception handling scheme. moved it closer to the atom solver segment. removed the while loop wrapping around the entire simulation. cleaned up the code, removed empty spaces.

abhi-agrawal/ATOM_ADR,abhi-agrawal/ATOM_ADR