msg-byu Goto Github PK
Name: Materials Simulation Group at Brigham Young University
Type: Organization
Bio: Repository for codes developed by BYU's MSG group
Location: United States
Blog: http://msg.byu.edu
Materials Simulation Group at Brigham Young University's Projects
agpd
SOAP and MTP as Machine-learned Alloy Models Paper
autogr
Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
bib
Master bibliography for the Materials Simulation Group at BYU.
clusterenumeration.jl
Enumerate clusters for alloy CE models and build correlation matrices for fitting tests
clustergeneration.jl
Generate clusters for UNCLE directly from the input structures that give a full-rank correlation matrix
enumlib
Derivative structure enumeration library
getting-started
Guide to getting started in MSG with python, travis, sphinx, github and general scientific computing.
hfniti-genetic
A genetic algorithm to find the stable configuration of HfNiTi
hullq
Using qhull.org code to plot ternary convex hulls.
kgridgen
Generator for Generalized Regular k-point grids
kptgen
K-point generation and symmetry folding
ml-for-curietemp-predictions
Code for reproducing all the results in [give ref here]
pyrelate
PYthon REpresentation and Learning of ATomic Environments
symlib
Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.
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