v0.21.5

v0.21.5

v0.21.4

Fix

• Fixed error for systems with no PBC (d5e01fb)

v0.21.3

Fix

• ccs_fetch: Sorting elements alphabetically dict_species (822f5cd)

v0.21.2

Fix

• ccs_validate: Adding deepcopy to make sure that dicts are not muted globally (6003e62)

v0.21.1

Fix

• ccs_validate: Adding deepcopy to make sure that dicts are not muted globally (b39924f)
• objective.py: Bug in assignment of exp_c (e9db52e)

v0.21.0

Feature

• Adding exporting of GULP and LAMMPS splines (01f9e97)

v0.20.3

v0.20.3

v0.20.2

v0.20.2

v0.20.1

v0.20.1

v0.20.0

Feature

• ccs_ase_calculator: Working implementation of stress tensor (4e61924)

Documentation

• Adding stress tensor calculation example (ea8d823)