10 skills found
abelcarreras / PhonolammpsLAMMPS interface for phonon calculations using phonopy
pyiron / PylammpsmpiParallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based on executorlib
kevinshen56714 / Emc PypiPython interface for Enhanced Monte Carlo (EMC)
lanl / LAVALava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with LAMMPS and VASP. The name Lava is derived from the “La” in LAMMPS and “va” in VASP. It provides a set of classes and functions to generate configurations, run lammps/vasp calculation, retrieve the output, postprocess and plot the results. All the above tasks are hard-coded into the script, without the need to call additional libraries.
evenmn / Lammps SimulatorPython package for launching LAMMPS simulations
Yazhuo-Liu / Install Lammps With Python Using CondaTutorial on installing the lammps python interface in a conda virtual environment
mushroomfire / Lammps NepThis package aims to provide a simple way to install lammps python interface with NEP support.
ovitrac / Pizza3🍕 Toolkit for multiscale modeling with LAMMPS in Python 3.x. It integrates with LAMMPS-GUI and leverages Large Language Models for rapid prototyping.
sebastian57 / JAX MTPPython implementation of the Moment Tensor Potential (machine learning potential for atomistic simulations), training code and C++ LAMMPS interface.
GeordyJ / Log Lammps ReaderLog LAMMPS Reader is a high-performance Rust library and Python extension for reading LAMMPS log files and converting them into DataFrames using the Polars library. This project leverages PyO3 to create a Python module that interfaces with Rust code, ensuring both speed and efficiency.
