Release Notes¶
Version 0.9.a0¶
25 June 2020:
Fixed some small bugs that gave problem in plotting the feasible region with newer versions of scipy.
Version 0.8.a3¶
27 February 2020:
Added some internal helper functions.
Fixed the sorting in the pandas series used for storing charge transition levels.
Version 0.8.a2¶
20 January 2020:
Improved the method for plotting the intersection of the feasible region with the plane defined by constant chemical potentials.
Added a complete case study in the tutorial.
Small bug fixes.
Version 0.8.a1¶
7 January 2020:
The class
DefectiveSystem
can be used for obtaining equilibrium defect concentrations.
Version 0.8.a0¶
18 December 2019:
Added compatibility with ASE version >= 3.18.0.
Added the class
DefectiveSystem
to manage defect formation energy calculations for a system with different point defects.