lammpstutorials / lammpstutorials-inputs
LAMMPS input from lammpstutorials.github.io
☆38Updated this week
Alternatives and similar repositories for lammpstutorials-inputs:
Users that are interested in lammpstutorials-inputs are comparing it to the libraries listed below
- LAMMPS tutorials for both beginners and advanced users☆108Updated this week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- GROMACS input files☆19Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆58Updated this week
- Examples demonstrating how to reproduce the results in the paper.☆54Updated 4 months ago
- cp2k postprocessing tools☆65Updated last month
- ☆42Updated 4 years ago
- ☆108Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆76Updated 3 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated 4 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆51Updated last year
- ☆36Updated last month
- On-the-fly calculation of Transport Properties☆24Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆39Updated 3 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- VMD plugin for manipulating topology information☆36Updated 2 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- Constant potential method in LAMMPS☆49Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆81Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆65Updated 2 weeks ago
- Gromacs to Lammps simulation converter☆74Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A collection of Python codes to calculate physical properties from molecular dynamics simulations.☆14Updated 6 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆36Updated last year
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- A GROMACS implementation of the ClayFF force field☆33Updated 2 years ago
- Tutorials on CP2K calculations☆49Updated 3 years ago