cpueschel / Lammps-Data-File-GeneratorLinks
Generate data file for lammps using force field and a POSCAR (VASP) like input file.
☆18Updated 9 years ago
Alternatives and similar repositories for Lammps-Data-File-Generator
Users that are interested in Lammps-Data-File-Generator are comparing it to the libraries listed below
Sorting:
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Site-Occupation Disorder☆47Updated 8 months ago
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 7 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- TDEP Tutorials☆34Updated 6 months ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Band unfolding for phonons☆58Updated last year
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- ☆22Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated 2 months ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Updated 8 months ago
- A module for ASE for elastic constants calculation.☆47Updated 10 months ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆28Updated 3 years ago
- A tool for finding optimized SQS structures tool written in C++☆60Updated 2 weeks ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆31Updated 3 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆37Updated 9 years ago
- Script to generate distorted perovskite structures☆12Updated last year