https://github.com/bjmorgan/strain
Calculates atom localised strain tensors using the approach of Falk and Langer - Phys Rev E 57, 7192 (1998)
Science Score: 10.0%
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Links to: nature.com, aps.org -
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○Scientific vocabulary similarity
Low similarity (3.1%) to scientific vocabulary
Repository
Calculates atom localised strain tensors using the approach of Falk and Langer - Phys Rev E 57, 7192 (1998)
Basic Info
- Host: GitHub
- Owner: bjmorgan
- Language: Ruby
- Default Branch: master
- Size: 129 KB
Statistics
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
Author: Benjamin J. Morgan Date: November 13, 2013
strain README
This program calculates local strain fields from VASP / QUAIM ionic configurations.
This routine is based on the algorithm proposed by M. L. Falk and J. S. Langer and borrows heavily from the MATLAB implementation by P. Schall and D. Bonner; used in, for example, Rahmani et al. Sci. Rep. 2, 1064 (2013).
Owner
- Name: Benjamin Morgan
- Login: bjmorgan
- Kind: user
- Location: Bath, UK
- Company: University of Bath
- Repositories: 73
- Profile: https://github.com/bjmorgan
Computational Chemistry at the University of Bath, UK.
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