28 skills found
jewettaij / MoltemplateA general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
elcorto / Pwtoolspwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
lammps / PizzaPizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for the LAMMPS molecular dynamics package.
henriasv / Lammps LogfileTool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.
Tingliangstu / Lammps ToolsSome scripting tools used for lammps input or output
Tingliangstu / New Version Spectral Decomposition Python Tools(NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
ksaaskil / Shc Python ToolsPython tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
m-bone / AutoMapperA package of tools for automating the file preparation for the LAMMPS fix bond/react.
lammps / Lammps PackagesScripts, tools, documentation and supporting libraries and files for building pre-compiled LAMMPS packages
dssimmons-codes / AMDATC++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.
Tingliangstu / Spectral Decomposition Python ToolsTools for computing spectral heat current distribution using LAMMPS NEMD simulations.
mphowardlab / LammpsioPython tools for working with LAMMPS files
molmd / MdproptoolsA Python package for LAMMPS analysis tools
atoms-ufrj / PostlammpsA tool for performing post-processing of lammps log files
GenieTim / Pylimer ToolsA collection of utility python functions for handling bead-spring polymer networks and LAMMPS output in Python
zhenyuwei99 / Lammps ToolboxToolbox used to construct model analysis output data for lammps based on Matlab
tamaswells / Lammps ToolsTools for Lammps dump files (based on pizza.py)
debeshmandal / StarpolymersSimulation tools for LAMMPS system generation and analysis for polyelectrolyte condensation
symashayak / Water Molecular Simulationa repository for input configuration and parameter files for carrying out molecular simulations of water by different MD tools, such as GROMACS, NAMD, LAMMPS, etc.
pfloris / Data2molA simple Python tool to convert from LAMMPS data files to LAMMPS molecule files
