v1.4.11

• The structure generation methods of atomman.defect.Dislocation now all
  have a center parameter that allows for the dislocation's position to be
  shifted. This is useful for setting up NEB runs.

• atomman.lammps.run now supports lammps_command paths that contain spaces.

• atomman.defect.Boundary has been further improved and some supporting
  tools developed. Not fully finalized yet.

• neb_replica dump style added that creates the atomic configurations used
  by LAMMPS for defining the final (and intermediate) replicas.

• More tools and operations related to Miller crystal vectors and planes have
  been added. These should make it possible for future revisions of the
  defect generators to be simplified and made more uniform.

• Record classes have been updated to support a URL field for assigning
  persistent identification (PID) values once uploaded to a CDCS database.

v1.4.6

• Import of dump styles is now fully modular and delayed. This allows for
  new styles to be introduced that have additional package requirements without
  breaking all of atomman. The delayed loading also makes it possible for dump
  methods to call other dump or load methods without import errors.

• atomman.dump.primitive_cell now works properly because of the above.

• Internal use of atomman.tools.crystalsystem functions changed to use the
  corresponding atomman.Box methods introduced in 1.4.4. instead.

• XSL and XSD files added for the defined record styles to better support
  integration of the reference records with potentials.nist.gov.

v1.4.5

• atomman.defect.FreeSurface now has a unique_shifts() method that uses
  crystal symmetry to filter out most symmetrically equivalent termination
  planes.

• atomman.dump.primitive_cell has been added that uses spglib to take an
  atomic system and return a new system corresponding to the identified
  primitive unit cell.

• atomman.dump.phonopy_Atoms is updated for newer versions of phonopy.

• strain methods have been added to atomman.defect.VolterraDislocation
  and its subclasses to provide the strain associated with the dislocation
  solutions. Stress and displacement methods in atomman.defect.Stroh have
  been adjusted to improve calculation speed.

• atomman.defect.pn_arctan_disldensity added and
  atomman.defect.pn_arctan_disregistry updated for consistency and new
  options. These give classic Peierls-Nabarro dislocation width models.

• load_table method has been added to atomman.cluster.BondAngleMap
  allowing for the data generated by save_table to be read back in.

v1.4.4

• New methods added to atomman.Box

  • reciprocal_vects method added that computes the reciprocal lattice
    vectors associated with the Box's vectors.

  • vector_crystal_to_cartesian and plane_crystal_to_cartesian from
    atomman.tools.miller have been added as Box methods.

  • position_relative_to_cartesian replaces atomman.System.unscale and
    position_cartesian_to_relative replaces atomman.System.scale as the
    new operations are better named and only relate to Box information.

  • identifyfamily, iscubic, ishexagonal, istetragonal,
    isrhombohedral, isorthorhombic, ismonoclinic and
    ismonoclinic methods added from atomman.tools.

• atomman.region.Plane has new methods operate, eq and
  isclose for transforming and comparing Planes.

• atomman.plot.interpolate_contour reworked to allow
  matplotlib.pyplot.axes to be passed through allowing for the color contour
  plots to be added on top of existing plots. Options also added to turn off
  features.

• atomman.defect.DifferentialDisplacement has new plot_with_nye method that
  overlays Nye tensor color contours with the differential displacement plots.

• Overhaul of atomman.library operations reflecting that underlying
  database handling is now branched off into the separate yabadaba package.

• Dislocation, FreeSurface, PointDefect and StackingFault
  Record classes related to defect parameter sets have been moved from iprPy
  to atomman.library.record This is to support future updates where these
  parameter sets can be directly passed to the defect generator classes.

• Typing hints added to all of atomman's code.

v1.4.3

• atomman.library.Database query options better ordered and default values
  updated. retrieve methods added to allow for database records to be copied
  to local files.

• Bug fix for composition queries of relaxed and reference crystal records.

• Updates for KIM model handling due to updates with the potentials package.

v1.4.2

• atomman.dump.pymatgen_Structure updated for new pymatgen versions.

• atomman.defect.DifferentialDisplacement bug fix related to handling
  the atomcolor and atomcmap parameters.

• atomman.tools now imports aslist, iaslist, screen_input, uber_open_rmode,
  and atomic_info from potentials to remove duplicate code.

• atomman.library various updates related to keeping record handling
  consistent with updates in potentials version 0.3.1.

v1.4.1

• atomman.lammps.Log bug fix for properly reading performance data
  for restart runs.

v1.4.0

• atomman.library and atomman.settings modules updated to reflect
  the reworked potentials package version 0.3.0.

• atomman.load_lammps_potential and atomman.load options 'prototype'
  and 'crystal' updated for the new library module. load style
  'dft_reference' added.

• atomman.lammps.Potential now is a function that returns either a
  potentials.record.PotentialLAMMPS or potentials.record.PotentialLAMMPSKIM
  object.

• atomman.lammps.run now has options for passing string input scripts
  rather than reading from files, and for turning off log file output.
  atomman.lammps.checkversion simplified due to the changes to run.

• atomman.cluster.BondAngleMap added for characterizing the three-body
  interactions as predicted by interatomic potentials.

v1.3.6

• atomman.tools.atomic_info updated for recently assigned element names
  and to be more lenient for isotopes.

• atomman.dump.atom_data updated to support using kim commands for kim
  model potentials.

• atomman.dump.lammps_commands added - NOT DEBUGGED FOR
  NON-CUBIC/ORTHORHOMBIC SYSTEMS!

v1.3.5

• atomman.defect.GammaSurface updates and fixes related to the units
  parameters for the plotting methods.

• atomman.defect.SDVPN bug fixes related to model() generation, loading,
  and the units parameters for the plotting methods.

• atomman.Settings is now a renaming/import of potentials.Settings.