by-student-2017 / lammps_education_reaxff_winLinks
☆39Updated 7 months ago
Alternatives and similar repositories for lammps_education_reaxff_win
Users that are interested in lammps_education_reaxff_win are comparing it to the libraries listed below
Sorting:
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years 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.☆58Updated 10 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- ☆110Updated 2 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆46Updated 3 months ago
- [UNMAINTAINED] Lammps data file creation☆27Updated 7 years ago
- ☆44Updated last week
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Constant potential method in LAMMPS☆51Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 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…☆55Updated 6 years ago
- Tutorials on CP2K calculations☆55Updated 3 years ago
- ☆61Updated 4 months ago
- Tutorial: Crystallization of silicon using enhanced sampling simulations☆18Updated last year
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 2 months ago
- ☆45Updated 5 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆37Updated 2 years ago
- ☆43Updated 7 years ago
- Site-Occupation Disorder☆44Updated 5 months ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- cp2k postprocessing tools☆69Updated 3 months ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆67Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆91Updated last week
- Gromacs to Lammps simulation converter☆84Updated last year
- Python tools to handle CP2K output files☆40Updated this week