creating functions to organize phases so the user does not have to write code for it.
gas-phase and bulk-phases now require all species to be in the same phase (beforehand, this code was implemented in the calling script and caused a lot of clutter)
Also, addresses #137 where conversion from Hartree to other energy units was off by a factor of 100.
Notable improvements include:
Also, addresses #137 where conversion from Hartree to other energy units was off by a factor of 100.