henriasv / lammps-logfileLinks
Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
☆64Updated 9 months ago
Alternatives and similar repositories for lammps-logfile
Users that are interested in lammps-logfile are comparing it to the libraries listed below
Sorting:
- ☆111Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 3 months ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- On-the-fly calculation of Transport Properties☆27Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- The Temperature Dependent Effective Potentials (TDEP) code☆96Updated 3 weeks ago
- A Set of Tutorials for the LAMMPS Simulation Package☆37Updated 2 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆68Updated last year
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 7 months ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated last week
- LAMMPS input from lammpstutorials.github.io☆57Updated 2 months ago
- A grain boundary generation code☆79Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆42Updated 10 months ago
- ☆100Updated last year
- LAMMPS tutorials for both beginners and advanced users☆129Updated 2 months ago
- A... M... L...☆53Updated 3 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
- Python Cp2k interface☆100Updated 3 years ago
- ☆72Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Site-Occupation Disorder☆47Updated 8 months ago
- Python package to analyse electron density & electrostatic potential grids☆89Updated 2 years ago
- Classical molecular simulation code☆145Updated last year
- ☆73Updated 8 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆76Updated last week