Published October 2, 2015
| Version v3.2.3
Software
Open
pymatgen: v3.2.3
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
- yanikou19
- Germain Salvato Vallverdu5
- Dan Gunter6
- Guido Petretto
- Bruno Rousseau
- Miao Liu7
- ndardenne
- Nav Nidhi Rajput6
- zacharygibbs
- Zihan XU
- Patrick Huck8
- wenhaosun
- rgmumufeng
- petousis
- leicheng
- migueldiascosta
- Alan Dozier9
- 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. NIOSH
Description
- Massive update to abinit support. Note that pymatgen.io.abinitio has been refactored to pymatgen.io.abinit. (Matteo, Setten)
- NwOutput now supports parsing of Hessian Matrics (contributed by Xin Chen)
- Gaussian support now has the ability to read potential energy surface
Files
pymatgen-v3.2.3.zip
Files
(60.8 MB)
| Name | Size | Download all |
|---|---|---|
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md5:c642c7faed8ea452fdcecb8b9f11cacc
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60.8 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v3.2.3 (URL)