readme updated
update copy on macbook
Merge branch 'master' of https://github.com/mackseem/qgen
geometries are updated
Merge branch 'master' of https://github.com/mackseem/qgen
meps are updated
Merge branch 'master' of https://github.com/mackseem/qgen
first trial with lonepairs for water
Molecule class added; still debugging
molecule.py comments removed
merged
working; not optimizing lonepairs
mcesp.py created
working on mcesp, updated fitness is needed
Merge branch 'lonepairs'
mcesp done