Improved handling of results.

Results now depend on the method as well as the calculation, and array results can be stored to variables (not tables, though). Made the multipoles arrays rather than large numbers of individual elements.

Fixed some small bugs.

Merge pull request #5 from molssi-seamm/bugfix

Fixed small bugs.

Finalized control over threads & memory.

Merge pull request #4 from molssi-seamm/control-options

Filling out the control options for number of threads and memory

Added control of number of threads and memory usage.

Automated the number of threads and memory usage, with overrides in the config file ~/.seamm/psi4.ini

Added optimization!

Merge pull request #2 from molssi-seamm/optimization

Added optimization substep.

Initial working version

2020.7.0

Fixed Sphinx conf.py by removing Napolean.