velocirobbie / GraFFView external linksLinks
A Graphene and Graphite Forcefield for LAMMPS
☆13Jun 19, 2019Updated 6 years ago
Alternatives and similar repositories for GraFF
Users that are interested in GraFF are comparing it to the libraries listed below
Sorting:
- Lammps tutorial: graphene simulations☆34Aug 27, 2020Updated 5 years ago
- ☆13Dec 17, 2025Updated last month
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity☆17Aug 18, 2020Updated 5 years ago
- ☆46Jun 15, 2020Updated 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。☆50Jun 9, 2021Updated 4 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆18Feb 19, 2016Updated 9 years ago
- ☆10May 22, 2024Updated last year
- ☆12Mar 28, 2025Updated 10 months ago
- My PhD thesis☆12Jan 7, 2020Updated 6 years ago
- Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM☆11Nov 4, 2019Updated 6 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- Package for consistent reporting of relative free energy results☆41Jan 30, 2026Updated 2 weeks ago
- Tool to convert '.com' Gaussian files into files supported by 3D rendering programs, such as Blender, Maya, and others.☆11Jan 15, 2026Updated 3 weeks ago
- Single-Life Reinforcement Learning☆14Dec 17, 2022Updated 3 years ago
- ☆14Jul 13, 2025Updated 7 months ago
- 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
- An Introduction to Computer Simulation Methods☆10Apr 11, 2015Updated 10 years ago
- the simple alchemistry test set☆10Nov 20, 2025Updated 2 months ago
- ☆10Jun 9, 2017Updated 8 years ago
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated 3 months ago
- Collaboration of two technologies (Machine Learning and TCAD) to improve the productivity in Semiconductor manufacturing industry☆10May 3, 2019Updated 6 years ago
- 经济学数据☆10Nov 7, 2021Updated 4 years ago
- ☆11Aug 19, 2025Updated 5 months ago
- 区块链-默克尔树算法python实现☆11May 2, 2018Updated 7 years ago
- Screening the Materials Project for novel materials to be synthesized by the autonomous laboratory (A-Lab).☆48Sep 28, 2023Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- ☆10May 28, 2020Updated 5 years ago
- ☆16Dec 17, 2024Updated last year
- Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools☆11Aug 2, 2024Updated last year
- ☆44Feb 15, 2022Updated 3 years ago
- ☆16Jan 11, 2024Updated 2 years ago
- A benchmark utility for pytest.☆17Mar 5, 2018Updated 7 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 4 years ago
- ☆12Jul 22, 2025Updated 6 months ago
- ☆13Feb 20, 2024Updated last year
- ☆11Nov 10, 2020Updated 5 years ago
- MPM with FEniCS☆10Jun 18, 2019Updated 6 years ago
- Files used in tutorials☆46Apr 26, 2020Updated 5 years ago