Generate software files monomer-matching bug

MB-Fit/mbfit/fitting/generate_software_files.py

Line 643 in 42915f2

    
           if "\"" + these_monomers[0] + "\"" in lines[i] and "\"" + these_monomers[1] + "\"" in lines[i]:

MB-Fit/mbfit/fitting/generate_software_files.py

Line 667 in 42915f2

    
           if "\"" + these_monomers[0] + "\"" in lines[i] and "\"" + these_monomers[1] + "\"" in lines[i]:

If you implement a A1B1 dimer and then attempt to implement its corresponding A1A1 dimers, these checks will fail and will fall through to the warning Seems like there is already a dimer {} -- {} defined.... As an example, attempting to generate k-k will fail if k-cl is already implemented, as the code will match "k+" in KCl for both monomers and assume it is already implemented.

Temporary fix: always implement the A1A1 potentials before the A1B1 potentials
Permanent fix: increase specificity of the selector