Generate data file for lammps using force field and a POSCAR (VASP) like input file.
☆20Feb 19, 2016Updated 10 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 5 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 8 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Free energy perturbation in LAMMPS.☆23Apr 18, 2021Updated 5 years ago
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 8 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 5 months ago
- A Graphene and Graphite Forcefield for LAMMPS☆14Jun 19, 2019Updated 7 years ago
- Some scripting tools used for lammps input or output☆69May 19, 2025Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆37Jul 18, 2020Updated 6 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆20Oct 27, 2019Updated 6 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Mean-field self-consistent equations for slave-boson superconductivity.☆12Jan 30, 2012Updated 14 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆24Jun 23, 2020Updated 6 years ago
- Julia package for the quantum cluster theories in condensed matter physics, including cluster perturbation theory (CPT), variational clus…☆13Jun 24, 2026Updated last month
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆170May 24, 2023Updated 3 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 5 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Feb 9, 2016Updated 10 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 3 years ago
- ☆28Jun 23, 2024Updated 2 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆28May 25, 2023Updated 3 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Updated this week
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- Tool for finding atomic environments in crystal structures☆24Mar 6, 2026Updated 5 months ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 3 months ago
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆21Apr 30, 2026Updated 3 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆46Feb 24, 2025Updated last year