djyaron/master_MSQC — pull request #3 by djyaron (2013-12-04 23:14:12+00:00)
Title: Linux

This branch (Linux) primarily:
- fixes a few cross-platform issues (\ --> filesep, etc)
- Changes Zopt to so it can better handle dihedral angles (e.g. preventing overlapping atoms while altering dihedral of substituents)
- Modifies Fitme.err and parallelHF.m to return information on convergence and use level shifting if HF fails to converge