Open-source library for analyzing the results produced by ABINIT
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Updated
Aug 14, 2024 - Python
Open-source library for analyzing the results produced by ABINIT
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
A tool for calculating topological invariants.
A tool for creating and manipulating tight-binding models.
solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
ase interface for Quantum Espresso
Programs for constructing Brillouin zones in three- and two-dimensional space.
Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.
Lattice gas Monte Carlo simulation code
General purpose Slater-Koster tight-binding library for electronic structure calculations
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
Semiemperical quasiharmonic thermal elasticity
Calculate thermodynamic properties of matter using phonon gas model (PGM)
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
A simple package for representing Bravais lattices in Python.
polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
calculate chemical bond strength in solids, surfaces and molecules
BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.
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