- update ITIC-based structures to have planar backbones (necessary fo…

…r SMARTS matching)

v0.6.1

BUGFIX
- Fix remove_hydrogens for typed compounds #74
- Update temperature ramp #75

v0.6.0

- Allow temp, tau, and n_steps to be lists of values to be executed in order
- Change shrink_kT_reduced to shrink_kT
- Add shrink_tau parameter
- Remove defaults for temp, tau, and n_steps

v0.5.2

BUGFIX
- Fix error in system mass not scaling with n_compounds

v0.5.1

Bugfix
- bump foyer version to fix openmm/parmed

v0.5.0

BUGFIX
- Using default r_cut value in create_hoomd_simulation was causing potentials to be purely
repulsive. See mosdef-hub/mbuild#947
This update allows r_cut to be set and sets a better default when using
autoscale=True

Simulation.run now returns True if completed

v0.4.0

- Code has been refactored:
    - all typed compounds have gaff added in their name so it is more clear what FF they are typed with (e.g. P3HT_typed.mol2 --> P3HT-gaff_typed.mol2)
    - force_fields directory renamed to forcefields
    - COMPOUND_FILE and FORCE_FIELD dicts renamed to COMPOUND and FORCEFIELD
    - deleted cml and untyped mol2 files in compounds directory
- Added pre-commit yaml to automatically lint the code:
    - many whitespace changes were made (eol and eof whitespace deleted)
    - docstrings updated

- fix how unyt quantities are serialized for signac

- add error checking for unimplented functionality