Bugfix and improved symmetry handling

• Fixed bug with symmetry operators containing blanks, e.g. 'x, y, z' rather than 'x,y,z'
• Added handling of symmetry when get properties of atoms
• Added method to lower symmetry to P1/C1

Technical release due to change in dependency

Merge pull request #69 from molssi-seamm/dev

Updating for changes in configparser.

Support for InChI improved, RMSD and PubChem added...

• Adds support for aligning structures and calculating RMSD
• Adds support for working directly with PubChem to get structures, IUPAC names, etc.
• Improves support for InChI, working around issues in both OpenBabel and RDKit.
• Added substantial new functionality for spacegroups and primitive cell handling, but still not complete.

Added support for velocities on atoms

Merge pull request #67 from molssi-seamm/dev

Support for velocities on atoms

Support for spacegroup symmetry

Merge pull request #66 from molssi-seamm/dev

Supporting space group symmetry

Improved handling of properties

• Added ability to get lists of systems or configurations filtered by name
• Improved handling of properties on just a system, not configuration
• Added ability to filter properties retrieved
• Improved handling of properties when creating OpenBabel OB_MOL object

Bugfix: error in QCSchema bonds; enhancement: RDKit

• Fixed bug in the bond indices in QCSchema
• Added ability to use RDKit for SMILES and InChI

Added support for creating structures from InChIKeys

Using PubChem to translate the InChIKey to InChI.

Added support for InChI and InChiKey notations.

Added support for InChI and InChiKey notations.

Added support for JSON in properties

Add JSON properties, which allows storing vectors, matrices, etc. as properties, thought they are not searchable.