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.
☆61Updated 2 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:
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 5 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- ☆108Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 6 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆80Updated last week
- A... M... L...☆48Updated 3 years ago
- ☆84Updated 6 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- cp2k postprocessing tools☆68Updated this week
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆66Updated last month
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated 3 months ago
- Python Cp2k interface☆95Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- A grain boundary generation code☆67Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆38Updated this week
- A Python library and command line interface for automated free energy calculations☆79Updated 2 weeks ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- Site-Occupation Disorder☆42Updated last month
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆69Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆126Updated 6 months ago
- ☆37Updated 3 months ago
- On-the-fly calculation of Transport Properties☆25Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 weeks ago
- Massively parallel vibrational mode calculator.☆23Updated 9 months ago
- Python tools to handle CP2K output files☆39Updated this week
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Constant potential method in LAMMPS☆50Updated last year
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆19Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 6 months ago