This will be the final release with the pymatgen.analysis.defects
module included in the standard pymatgen package. This release will include the older defects code by default, but can also be replaced with the newer defects code through installation of pymatgen-analysis-defects
.
Subsequent versions of pymatgen will require the additional installation of pymatgen-analysis-defects for all defect-related functionality via pip install pymatgen-analysis-defects
.
Relevant imports will still be from the pymatgen.analysis.defects
namespace but the code will now be maintained and developed in this separate repository.
There will be significant changes to the defects code to support new functionality. Existing PyCDT users should use this version of pymatgen or older. Any questions about this change should be directed to Jimmy-Xuan Shen, @jmmshn.
For more information about other pymatgen "add-on" packages, please see this page in our documentation.