Software Open Access

matador: v0.9.11

Matthew L. Evans

  • Minor change: allow specification of arbitrary strings for CASTEP pseudopotential libraries (#156).
  • Bug fix: standardize_cell script failing to use default symmetry tolerance value (#157).
  • Bug fix: scraping of .cif files with single atoms and no symmetries (#173)
  • Bug fix: scraping of Hubbard U values from .castep files, and associated bugs when performing relaxations with Hubbard U (#180)
  • Dependency updates and Python 3.6 deprecation warning (#158, #181)
Files (17.6 MB)
Name Size
ml-evs/matador-v0.9.11.zip
md5:f4373ed601e16d5aeae53dd1188bc0b7
17.6 MB Download
251
16
views
downloads
All versions This version
Views 25137
Downloads 164
Data volume 277.1 MB70.4 MB
Unique views 18929
Unique downloads 134

Share

Cite as