github materialsproject/pymatgen v2021.2.8

latest releases: v2024.10.29, v2024.10.27, v2024.10.25...
3 years ago
  • Addition of new job types to Q-Chem IO (@espottesmith, #2055),
    note metal_edge_extender has been moved into local_env for this change
  • Improvements to string utils, new Stringify mixin with
    to_pretty_string(), to_latex_string(), to_unicode_string(), to_html_string() (@shyuep)
  • Improvements to build system (@shyuep, @ltalirz, see #2046)
  • Entry is now immutable, removing "in_place" option for normalize (@mkhorton, @mattmcdermott, #2060)
  • Bug fix for co-ordination geometry finder (@davidwaroquiers, #2035)
  • Bug fix for GibbsComputedStructureEntry (@mattmcdermott)

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