Published February 19, 2016
| Version v3.3.5
Software
Open
pymatgen: v3.3.5
Authors/Creators
- Shyue Ping Ong1
- Michiel van Setten2
- gmatteo
- Will Richards
- Geoffroy Hautier
- Xiaohui Qu
- Stephen Dacek
- Bharat Medasani3
- cedergroupclusters
- Anubhav Jain4
- Richard Tran
- Michael
- Sai Jayaraman
- Joseph Montoya
- yanikou19
- Germain Salvato Vallverdu5
- Dan Gunter6
- Guido Petretto
- Bruno Rousseau
- ndardenne
- Miao Liu7
- Nav Nidhi Rajput6
- zacharygibbs
- Zihan XU
- Patrick Huck8
- Nils Zimmermann8
- Xin Chen
- maartendft
- wenhaosun
- Zhenbin Wang9
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley National Lab
- 4. Lawrence Berkeley Lab
- 5. Université de Pau et des Pays de l'Adour, IPREM, Équipe de Chimie Physique
- 6. LBNL
- 7. LBL
- 8. Lawrence Berkeley National Laboratory
- 9. UCSD
Description
- StructureMatcher can now work with ignored species.
- Added interpolation failure warnings and smooth tolerance for scipy.interpolate.splrep in bandstructures (Tess).
- Added DiffusionAnalyzer.get_framework_rms_plot.
Files
pymatgen-v3.3.5.zip
Files
(56.3 MB)
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v3.3.5 (URL)