Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity
☆17Aug 18, 2020Updated 6 years ago
Alternatives and similar repositories for viscosity_md
Users that are interested in viscosity_md are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- ☆15Dec 17, 2025Updated 10 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 8 months ago
- ☆12Oct 1, 2026Updated last month
- NIST Interatomic Potential Repository property calculation tools☆23Aug 6, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Code to analyze molecular dynamics trajectory☆18Nov 13, 2024Updated last year
- pyCSH: automated generation of realistic bulk calcium silicate hydrate (C-S-H) structures.☆13Jun 26, 2024Updated 2 years ago
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 6 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 5 years ago
- 针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。☆51Jun 9, 2021Updated 5 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 5 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Repository with conda recipes for LAMMPS, GROMACS, etc (WIP)☆11Apr 11, 2024Updated 2 years ago
- A FFT-based homogenization tool.☆20Jul 9, 2024Updated 2 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Feb 9, 2016Updated 10 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆20Aug 19, 2024Updated 2 years ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Aug 12, 2021Updated 5 years ago
- A Graphene and Graphite Forcefield for LAMMPS☆14Jun 19, 2019Updated 7 years ago
- We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response (>320 …☆10Aug 28, 2024Updated 2 years ago
- The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)☆23May 14, 2023Updated 3 years ago
- A Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 3 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆15Oct 25, 2022Updated 4 years ago
- Generate PEG topology for GROMACS and LAMMPS☆26Oct 16, 2026Updated 2 weeks ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian☆24Oct 23, 2026Updated last week
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS☆20Oct 14, 2025Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 4 years ago
- ☆10Apr 22, 2021Updated 5 years ago
- ☆10Feb 5, 2026Updated 8 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- PLATO: Phonon LAttice TOols a place for all lattice dynamics and thermal transport related tools.☆16Oct 4, 2023Updated 3 years ago
- 📚 LaTeX templates and tools for creating beautiful, structured documents 📝☆14Oct 24, 2025Updated last year
- LAMMPS tutorials for both beginners and advanced users☆150Sep 14, 2026Updated last month
- LAMMPS input from lammpstutorials.github.io☆65Oct 1, 2025Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆46Sep 4, 2025Updated last year
- 清华大学学生健康和出行情况报告每日自动提交☆14Jan 30, 2021Updated 5 years ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆25Aug 23, 2026Updated 2 months ago