zrfcms / SPaMDLinks
SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group of Professor Ruifeng Zhang at Beihang University in the past five years. It is dedicated to the modeling, calculation/simulation, analysis and visualization of materials at atomic scale.
☆27Updated 4 months ago
Alternatives and similar repositories for SPaMD
Users that are interested in SPaMD are comparing it to the libraries listed below
Sorting:
- potfit force-matching code☆41Updated last year
- Some scripting tools used for lammps input or output☆59Updated 3 months ago
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 9 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- Generate random alloys and compute various properties☆57Updated 9 months ago
- ☆36Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 6 years ago
- ☆39Updated 6 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- Python tools to handle CP2K output files☆40Updated last week
- A module for ASE for elastic constants calculation.☆46Updated 7 months ago
- ☆42Updated 7 years ago
- Tutorials related to GPUMD☆44Updated 4 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Site-Occupation Disorder☆44Updated 4 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 8 months ago
- quick analysis of vasp calculation☆36Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Convert files from the ATB repository to LAMMPS format☆22Updated this week
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- A grain boundary generation code☆73Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆39Updated 11 months ago
- ☆60Updated 4 months ago
- A python interface of NEP☆61Updated 8 months ago