Published September 3, 2016
| Version v4.2.2
Software
Open
pymatgen: v4.2.2
Authors/Creators
- Shyue Ping Ong1
- gmatteo
- Michiel van Setten2
- Will Richards
- Xiaohui Qu
- Geoffroy Hautier
- Anubhav Jain3
- Stephen Dacek
- Bharat Medasani4
- cedergroupclusters
- Richard Tran
- Kiran Mathew3
- Joseph Montoya
- Michael
- Sai Jayaraman
- Shyam Dwaraknath5
- yanikou19
- Germain Salvato Vallverdu6
- Guido Petretto
- Dan Gunter5
- Bruno Rousseau
- ndardenne
- Miao Liu7
- Nils Zimmermann8
- Muratahan Aykol5
- Zihan XU
- Nav Nidhi Rajput5
- zacharygibbs
- Saurabh Bajaj8
- Patrick Huck8
- 1. Materials Virtual Lab
- 2. UCLouvain
- 3. Lawrence Berkeley Lab
- 4. Lawrence Berkeley National Lab
- 5. LBNL
- 6. Université de Pau et des Pays de l'Adour, IPREM, Équipe de Chimie Physique
- 7. LBL
- 8. Lawrence Berkeley National Laboratory
Description
- Global configuration variables such as VASP_PSP_DIR and MAPI_KEY are now stored in "~/.pmgrc.yaml". If you are setting these as environmental variables right now, you can easily transition to the new system using
Files
pymatgen-v4.2.2.zip
Files
(68.9 MB)
| Name | Size | Download all |
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md5:8d8eae68ddcc89f35330370831845af9
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v4.2.2 (URL)