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782

Basis function expansion to quantum 1D wells

acorn

Automatic Computational Research Notebook

analyzefit

enumlib

Derivative structure enumeration library

fortpy

Python Emacs Intellisense and Unit Testing Support for Fortran

gr_grid_comparisons

Data that shows how different K-point selection methods impact the convergence of VASP calculations.

grkgridgen

Notes for optimal packing fraction k-point grids

iid

Study off iid selected iid structures by concentration.

kgridgen

Generator for k-point grids

latticevisualizationtools

Python scripts for generating figures for lattices in 2 and 3 dimensions.

phonon-enumeration

Code for the selection of symmetrically unique structures for use in training models for structures and phonon's.

polya

Python and Fortran Numerical Implementations of the Polya Enumeration Theorem

py_dft

Python implementation of a DFT code.

pyniggli

Python package to do niggli cell reduction

python-ternary

:small_red_triangle: Ternary plotting for python with matplotlib

quantifiedcode

QuantifiedCode Community Edition - Protect Your Codebase.

subdivide

Code for subdividing polygons and polyhedra into equal area or volume sections

symlib

Symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.

wsmorgan.github.io