关注 M r . m a t e r i a l , \color{Violet} \rm Mr.material\ , Mr.material , more \color{red}{more}more \color{blue}{more}Much finer\color{orange}{fine}Wonderful \color{green}{color}color !
The main columns include:
†"LAMMPS Tips": ‾ \textbf{ \underline{\dag"LAMMPS Tips":}} † " LAMMPS Tips" :Mainly introduces the use of molecular dynamics ( L ammps LammpsL amm p s ) simulation related installation tutorials, principles and simulation tips (difficulty:★ \bigstar★ )
††"LAMMPS Instance Tutorial—In File Detailed Explanation": ‾ \textbf{ \underline{\dag\dag"LAMMPS Instance Tutorial—In File Detailed Explanation":}} †† " LAMMPS Instance Tutorial - Detailed Explanation of In File" :Mainly introduces the use of molecular dynamics ( L ammps LammpsL amm p s ) to simulate related physical process simulations. (Including: calculation of thermal conductivity, calculation of specific heat capacity at constant pressure, difficulty:★ \bigstar\ bigstar\ bigstar★ )
†††"Lammps programming skills and post-processing skills": ‾ \textbf{ \underline{\dag\dag\dag"Lammps programming skills and post-processing skills":}} ††† " Lammps Programming Tips and Post-Processor Tips" :Mainly introduces the post-correlation processing analysis for the dynamic process (trajectory file) of molecular simulation (needs certain programming ability. Difficulty: ★ \bigstar\ bigstar\ bigstar\ bigstar\ bigstar★ ).
††††《Molecular Dynamics Postprocessing Integrated Function—Matlab》: ‾ \textbf{ \underline{\dag\dag\dag\dag《Molecular Dynamics Postprocessing Integrated Function—Matlab》:}} †††† "Molecular Dynamics Postprocessing Integrated Function —Matlab " :It mainly introduces the packaging of the specified function in the post-processing process, which is convenient for users to call directly (a certain programming ability is required, difficulty: ★ \bigstar\ bigstar\ bigstar\ bigstar★ ).
†††††"SCI Paper Drawing—Python Drawing Common Templates and Techniques": ‾ \textbf{ \underline{\dag\dag\dag\dag\dag"SCI Paper Drawing—Python Drawing Common Templates and Techniques": }} ††††† " SCI Paper Drawing - Common Templates and Techniques for Python Drawing" :It mainly introduces the visualization of processed data and provides corresponding drawing templates (a certain programming ability is required, difficulty: ★ \bigstar\ bigstar\ bigstar\ bigstar★ ).
††††††"Molecular Simulation - Ovito Rendering Case Tutorial": ‾ \textbf{ \underline{\dag\dag\dag\dag\dag\dag "Molecular Simulation - Ovito Rendering Case Tutorial": }} †††††† "Molecular Simulation - Ovito Rendering Case Tutorial" :Mainly use O vito \rm OvitoOvito software, forL amps \ rm LammpsTrajectory files generated by Lammps for rendering (difficulty:★ \bigstar\ bigstar★)。
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♠ \spadesuit ♠ † \day† Open source post-processing integration program: Please pay attention to the column"LAMMPS post-processing - MATLAB sub-function collection"
♠ \spadesuit♠ † \day† † \day† For a custom post-processing program please email:lammps_materials@163. com \rm lammps\[email protected][email protected]
Article directory
The blog post "Identifying Clusters Based on the Neighbor List Method—Condensation Nucleation Matlab+Ovito (Part 1)" gives the code for how to identify clusters. I won't go into details here, but only discuss the rendering process.
This case highlights the cluster formation and growth process. This case highlights the cluster formation and growth process.This case highlights the cluster formation and growth process.
1. Select cluster atoms and non-cluster atoms
1. Selection of cluster atoms
Here is the Dump \rm Dump identified by the programScreening performed by dump tracks. After selection, these atoms are temporarily deleted.
2. Removal of non-cluster atoms
2. Select cluster atoms and non-cluster atoms
1. Cluster Analysis
Screen out cluster atoms and use O vtio OvtioO v t i o 's built-in cluster analysis function,C cluster analysis \rm Cluster\ analysisCluster analysis。
It can be seen that Ovito can well identify the clusters in the system.
2. Cluster specific information
Click on the cluster information to see the size and ID of each cluster, which can be output through Ovito
3. Rendering clusters
1. Select the cluster
Here we first identify the atomic mark \rm mark according to the programmark information to filter.
2. Obtain the result of cluster rendering
Deletes the atoms within the cluster, leaving only the rendered result.
4. Rendering results
You can see the change process of the cluster and count the cluster information.
5. Case dump download
Link: Please click
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