zrfcms / SPaMD
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.
☆25Updated 8 months ago
Related projects: ⓘ
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆26Updated 5 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆24Updated 3 months ago
- Examples demonstrating how to reproduce the results in the paper.☆47Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆12Updated 5 months ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 4 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆20Updated last year
- Fluid-phase Free-energy Calculation package for LAMMPS☆24Updated 2 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆18Updated 7 years ago
- Tutorials on atomic simulations related to my research☆25Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆46Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆25Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 4 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆21Updated 3 weeks ago
- This GitHub repository contains additional information supporting published manuscripts☆15Updated last week
- quick analysis of vasp calculation☆34Updated 3 months ago
- generator of simple atomistic models☆24Updated 6 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆24Updated 8 years ago
- A code to compute the radial distribution function☆19Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆16Updated 4 years ago
- Site-Occupation Disorder☆35Updated 10 months ago
- ☆35Updated 4 years ago
- cif2cell compatible with Python 3+☆11Updated last year
- A module for ASE for elastic constants calculation.☆35Updated last month
- ☆30Updated last month
- Interfacial Phonon code☆25Updated 2 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 4 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 7 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆12Updated 5 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆11Updated 4 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆16Updated 2 years ago