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 fine\color{orange}{fine}Wonderful \color{green}{color}Colorful !
The main column contents 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 Example Tutorial—Detailed Explanation of In File": ‾ \textbf{ \underline{\dag\dag"LAMMPS Example Tutorial—Detailed Explanation of In File":}} " LAMMPS Example Tutorial —In File Detailed Explanation" :Mainly introduces the use of molecular dynamics ( L ammps LammpsL amm p s ) simulation related physical process simulation. (Including: calculation of thermal conductivity, calculation of specific heat capacity at constant pressure, difficulty:★ \bigstar★ ★ \bigstar★ ★ \bigstar★ )
《Lammps Programming Techniques and Post-processing Programming Techniques》: ‾ \textbf{ \underline{\dag\dag\dag《Lammps Programming Techniques and Post-processing Programming Techniques》:}} " Lammps Programming Techniques and Post-Processing Programming Techniques" :Mainly introduces the post-related processing and analysis of the dynamic process (trajectory file) of molecular simulation (requires certain programming ability. Difficulty: ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ).
《Molecular dynamics post-processing integrated function—Matlab》: ‾ \textbf{ \underline{\dag\dag\dag\dag《Molecular dynamics post-processing integrated function—Matlab》:}} "Molecular Dynamics Post-processing Integrated Function —Matlab " :It mainly introduces the packaging of specified functions in the post-processing process to facilitate users to call them directly (requires certain programming ability, difficulty: ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ).
‾ \textbf{ \underline{\dag\dag\dag\dag\dag"SCI Paper Drawing—Commonly used templates and techniques for Python drawing": }} " SCI Paper Drawing — Commonly Used Templates and Techniques for Python Drawing" :It mainly introduces the visualization of processed data and provides corresponding drawing templates (requires certain programming ability, difficulty: ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ★ \bigstar★ ).
‾ \textbf{ \underline{\dag\dag\dag\dag\dag\dag "Molecular Simulation—Ovito Rendering Case Tutorial": }} "Molecular Simulation —Ovito Rendering Case Tutorial" :Mainly using O vito \rm OvitoOvito software, forL ammps \rm LammpsRendering of trajectory files generated by Lammps (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† If you need to pay to customize the post-processing program, please contact us by email:lammps _ materials @ 163. com \rm lammps\[email protected][email protected]
Select all atoms and record them as all allall
set all [atomselect top all]
Rotate 90 degrees around the z-axis
$all move [transaxis z -90]
1. Before rotation
2. Rotate 30° around the Y axis. After rotation
3. Adjust the box size
measure minmax $all
$all moveby {
1.5506435602219426e-6 1.8080943391396431e-6 8.952644634518947e-7}
measure minmax $all
pbc set {
123.67752075195313 142.7479705810547 71.4052505493164}