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王雨辰phy

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[资源] 用matlab写的分子动力学简单代码，可实现lammps格式输出

Molecular Dynamics Simulation Code in MATLAB
While I started working on Molecular Dynamics, I wanted to take a look at a sample code. But, I could not find any code especially in MATLAB. For those who need the molecular dynamics code in MATLAB, download the attached files. Codes utilize reduced units and takes into account pairwise Lennard-Jones interaction

main.m is the main file which contains all the details about other functions
initialize.m is a function which initializes all the variables
eval_force.m is a function for calculating force
integrate.m is a function for calculating the update position and velocities
print_init.m is a function to print initial datasets
print_traj.m is used for printing the trajectories (in LAMMPS format) which can be viewed using VMD
visualize.m is used instant visualization of results

AB6N{25XR`P]WR)D9A42E8B.png

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