1.0.2

Adds default ECPs to Gaussian and NWChem calculations
Adds atomic number and atomic symbol attributes to an Atom
Adds a check for molecule initialisation with an odd number of electrons and but no unpaired electrons
Improves NWChem output monitoring
Improves keyword setting for WF and DFT methods
Modifies default ORCA auxiliary basis sets

1.0.1

Fixes inconsistent bond rearrangments being discarded based on neighbour lists
Fixes default breaking bond distances exceeding something reasonable
Introduces a molecular radius property for a species
Introduces initial non-overlapping geometries for molecular complexes

Stable release

Documentation update (#31)

* Update citation and add additional documentation

*  Bump version to 1.0.0

Beta release

Bugfixes, NEB TS guesses, computational methods population and improved wrappers

Alpha release

Merge pull request #10 from duartegroup/tom

Switch gradients to be consistent with unit convention