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.
☆30Updated 9 months ago
Alternatives and similar repositories for SPaMD
Users that are interested in SPaMD are comparing it to the libraries listed below
Sorting:
- Some scripting tools used for lammps input or output☆63Updated 8 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33Updated 6 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
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆50Updated 8 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- ☆36Updated 6 years ago
- potfit force-matching code☆42Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- Generate random alloys and compute various properties☆66Updated last week
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆40Updated 3 weeks ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Updated last year
- generator of simple atomistic models☆28Updated 7 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- This GitHub repository contains additional information supporting published manuscripts☆19Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 weeks ago
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- A grain boundary generation code☆81Updated 2 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆112Updated last week
- Ab initio tight binding simuation package☆38Updated 2 months ago
- Site-Occupation Disorder☆49Updated 10 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆38Updated 9 years ago
- A python interface of NEP☆68Updated 3 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Updated last year
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆38Updated last month
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago