Solute-solvent clusters

Changed

Reorganized solute and solute.solvent to heterogeneous and homogeneous.

Moved selected ABCluster structures into the abc folders instead of having them separate.

Added

Methanol 20mers from Pires & Deturi (DOI: 10.1021/ct600348x) and Yao et al (DOI: 10.1063/1.4973380).

Packmol generated structures of 30h2o, 112h2o, 140h2o, 30mecn, 39mecn, 30meoh, 50meoh, and 62meoh.

ORCA MP2/def2-TZVP energy+gradient calculation of Yoo et al. boat-b 16mer.

Methanol 4-6mer minima from Boyd et al. (DOI: 10.1021/ct6002912) with MP2/def2-TZVP engrads.

Acetonitrile 4-6mer minima from Malloum et al. (DOI: 10.1002/qua.26222) with MP2/def2-TZVP engrads.

Water 16mer minima from Yoo et al. (DOI: 10.1021/jz101245s) with RI-MP2/def2-TZVP engrad.

Water 4-6mer minima from Temelso et al. (DOI: 10.1021/jp2069489) with MP2/def2-TZVP engrads.

20 Angstrom box of water from GROMACS solvate.

Removed

Moved 12h2o.su.etal monomers, dimers, and trimers to another repository.