tproffen / DiffuseCodeLinks
Suite of programs to simulate disordered and nanomaterials
☆61Updated this week
Alternatives and similar repositories for DiffuseCode
Users that are interested in DiffuseCode are comparing it to the libraries listed below
Sorting:
- Open-source library for analyzing the results produced by ABINIT☆134Updated 3 weeks ago
- A simulation package of phonon-phonon interaction related properties☆155Updated last week
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated last week
- Fermi surface generation, analysis and visualisation.☆98Updated last month
- Atomistic Manipulation Toolkit☆94Updated 6 months ago
- A Python interface to the electron microscopy simulation program QSTEM☆64Updated 5 years ago
- Reads crystallographic cif files and simulates diffraction☆73Updated 4 months ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆56Updated 2 weeks ago
- Python framework for generating and validating pseudo potentials☆51Updated 2 years ago
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆94Updated last month
- A module for ASE for elastic constants calculation.☆47Updated last month
- JDFTx: software for joint density functional theory☆100Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆83Updated 8 months ago
- ☆30Updated 2 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆92Updated 2 months ago
- A library of ultrasoft and PAW pseudopotentials☆93Updated 3 years ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated last month
- Debye's scattering equation & other analysis of atomistic models.☆58Updated 3 weeks ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆105Updated last year
- ASE density-functional tight-binding calculator☆68Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 3 months ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- A Python library for electronic structure pre/post-processing☆201Updated last week
- Crystal structure container and parsers for structure formats.☆35Updated 2 months ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Simulation Package for Ab-initio Real-space Calculations☆94Updated 2 months ago
- A high-performance framework for solving phonon and electron Boltzmann equations☆117Updated 3 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Updated 4 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago