gudasergey / fdmnesLinks
FDMNES
☆10Updated 5 years ago
Alternatives and similar repositories for fdmnes
Users that are interested in fdmnes are comparing it to the libraries listed below
Sorting:
- python wrapper for fdmnes data input/output☆14Updated 4 years ago
- Python implementation of FitIt software to fit X-ray absorption near edge structure (XANES) extended with additional features.☆41Updated last year
- Core-Level Spectroscopy Simulations in Python☆42Updated last year
- python enhancements of ase.calculators.vasp☆28Updated 9 years ago
- ☆30Updated 2 months ago
- Suite of programs to simulate disordered and nanomaterials☆61Updated last week
- Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.☆77Updated 8 months ago
- ☆20Updated 2 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Updated last year
- A package for plotting and manipulating 1D spectra☆12Updated last year
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated last week
- ☆61Updated 4 months ago
- Crystal structure container and parsers for structure formats.☆35Updated 2 months ago
- Open Computational Chemistry in C++☆21Updated last week
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆94Updated 2 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆17Updated this week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated this week
- Reads crystallographic cif files and simulates diffraction☆73Updated 4 months ago
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆16Updated 5 months ago
- A JupyterLab launcher extension to view the molecular orbitals.☆19Updated last year
- ☆12Updated last week
- Multipurpose ab initio MD program.☆12Updated last month
- Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (…☆168Updated last week
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated last month
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆19Updated last week
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Updated last week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- A physics computational framework for python and ipython☆39Updated 7 months ago
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆61Updated last week
- NIST Interatomic Potential Repository property calculation tools☆23Updated 6 months ago