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| Package |
Description |
Version |
|
cp2k
☆
formula
|
Quantum chemistry and solid state physics software package |
2025.1 |
|
crystaldiffract
☆
cask
|
Powder diffraction software including phase ID & Rietveld refinement |
7.2.6 |
|
crystalmaker
☆
cask
|
Energy modelling for crystal & molecular structures |
11.7.2 |
|
damask-grid
☆
formula
|
Grid solver of DAMASK - Multi-physics crystal plasticity simulation package |
3.0.2 |
|
kim-api
☆
formula
|
Knowledgebase of Interatomic Models (KIM) API |
|
|
lammps
☆
formula
|
Molecular Dynamics Simulator |
20250722-update6 |
|
libformfactor
☆
formula
|
C++ library for the efficient computation of scattering form factors |
|
|
mgis
☆
formula
|
Provide tools to handle MFront generic interface behaviours |
3.1 |
|
openkim-models
☆
formula
|
All OpenKIM Models compatible with kim-api |
|
|
singlecrystal
☆
cask
|
Crystal diffraction software |
5.4.0 |
|
spglib
☆
formula
|
C library for finding and handling crystal symmetries |
|
|
tfel
☆
formula
|
Code generation tool dedicated to material knowledge for numerical mechanics |
5.1.0 |
|
vesta
☆
cask
|
Visualisation for electronic and structural analysis |
3.5.8 |
|
voro++
☆
formula
|
3D Voronoi cell software library |
|