/tools/RMD_Digging
RMD_Digging
dadaoqiuzhi/RMD_Digging
50 stars13 forksMATLABAdded February 8, 2026
summary
RMD_Digging is a toolkit designed for pre-processing and post-processing tasks in reactive molecular dynamics simulations using the ReaxFF force field. It includes functionalities for data extraction, statistical analysis, and visualization of molecular structures and trajectories.
description
RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.
topics
molecular-dynamics-simulationreactive-molecular-dynamicsreaction-mechanismreaxfflammpsmaterials-studiovmdmatlabvisulizationstatistic-analysis
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