LAMMPS interface for phonon calculations using phonopy
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Aug 29, 2024 - Python
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lammps-python-interface
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Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
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Jul 14, 2025 - Python
Python interface for Enhanced Monte Carlo (EMC)
monte-carlo molecular-dynamics molecular-dynamics-simulation lammps lammps-python-interface lammps-data smiles-strings
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Jun 23, 2025 - Perl
Python package for launching LAMMPS simulations
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Aug 23, 2023 - Python
🍕 Toolkit for multiscale modeling with LAMMPS in Python 3.x. It integrates with LAMMPS-GUI and leverages Large Language Models for rapid prototyping.
lammps matlab-toolbox mechanics soft-matter multiscale-simulation lammps-python-interface multiscale-modeling lammps-script food-engineering
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Apr 2, 2025 - HTML
Wrapper for LAMMPS simulation data into DLPack data structures
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Aug 14, 2024 - C++
Molecular dynamics simulations of GaN nanobelts and BaTiO3 for piezoelectric effects and analysis using LAMMPS software at IIT Hyd
python python-library python3 molecular-dynamics-simulation lammps ovito lammps-python-interface lammps-data computational-materials-science lammps-input lammps-script nanobelts
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Jul 11, 2025 - HTML
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