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 5 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
- Generate random alloys and compute various properties☆60Updated 10 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 3 weeks ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- This GitHub repository contains additional information supporting published manuscripts☆18Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆60Updated 11 months ago
- Tutorials on atomic simulations related to my research☆31Updated 3 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…☆56Updated 6 years ago
- ☆36Updated 6 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 6 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- quick analysis of vasp calculation☆38Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆66Updated last year
- Some scripting tools used for lammps input or output☆60Updated 4 months ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆27Updated this week
- generator of simple atomistic models☆28Updated 7 years ago
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 10 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆21Updated 4 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Tutorials related to GPUMD☆53Updated 2 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆16Updated 5 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆47Updated 4 months ago
- Convert files from the ATB repository to LAMMPS format☆22Updated last month
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago