simongravelle / how-to-lammps
How-to perform LAMMPS simulations
☆14Updated last year
Alternatives and similar repositories for how-to-lammps:
Users that are interested in how-to-lammps are comparing it to the libraries listed below
- Lammps tutorial: graphene simulations☆31Updated 4 years ago
- ☆42Updated 4 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- 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
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆36Updated 3 years ago
- CmuMD implementation for PLUMED2☆15Updated last year
- A collection of Python codes to calculate physical properties from molecular dynamics simulations.☆14Updated 6 months ago
- ☆27Updated 2 years ago
- Convert files from the ATB repository to LAMMPS format☆18Updated 5 months ago
- GROMACS input files☆19Updated last year
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆25Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated 3 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆35Updated this week
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆54Updated 4 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆81Updated 3 years ago
- Learning Molecular Dynamics with LAMMPS☆12Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆39Updated 3 years ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- On-the-fly calculation of Transport Properties☆24Updated last year
- ☆36Updated last month
- LAMMPS tutorials for both beginners and advanced users: the article☆17Updated this week
- Personal functions for making Pyplot Python figures☆14Updated 5 months ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆32Updated this week
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 2 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago