materialsproject/pymatgen: v2018.9.30
- Shyue Ping Ong
- gmatteo
- Michiel van Setten
- Will Richards
- Joseph Montoya
- Xiaohui Qu
- Anubhav Jain
- Kiran Mathew
- Geoffroy Hautier
- Richard Tran
- Shyam Dwaraknath
- Stephen Dacek
- David Waroquiers
- Bharat Medasani
- cedergroupclusters
- Nils Zimmermann
- Danny Broberg
- Matthew Horton
- samblau
- Michael
- Sai Jayaraman
- fraricci
- Zhi Deng
- Evan Spotte-Smith
- Guido Petretto
- Germain Salvato Vallverdu
- yanikou19
- Alireza Faghanina
- Logan Ward
- J. George
DOIAbstract
Fix: increased cut-off to VoronoiNN to avoid scipy crash (@utf) Fix: Outcar parsing issues with certain values of electrostatic potential (@sivonxay) Fix: bug in EnumlibAdaptor/EnumerateStructureTransformation involving incorrect stoichiometries in some instances (#1286) (@shyuep) Fix: fractional co-ordinate finite precision errors in CifParser, now also includes additional warnings for implicit hydrogens (@mkhorton) New features and improvements to GBGenerator (@ucsdlxg, @shyuep) New analysis options in StructureGraph, speed up tests (@mkhorton) New utility function to pretty print disordered formulae, along with a ordered-to-disordered structure transformation (@mkhorton) Ability to use pymatgen's StructureMatcher against AFLOW's library ...
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