Tutorial for getting started using LAMMPS
hands-on #1: 12 LJ atoms:

1. create a new folder cms in your C:\
2. download and unpack the 12atoms.tar.gz file, and get into the "C:\cms\12atoms" folder;
3. Shift + Right-click in the folder,
then "Open Powershell windows here" to launch the PowerShell (for Win 10),
or "Open command window here" 在此处打开命令行 to open the Command Prompt, CMD (for Win 7, 8);

4. listing of files in the folder:
      dir      
(or use ls in PowerShell)
5. run LAMMPS:
 (Windows)   lmp_serial.exe -i in.move.LJ
 (macOS)     lmp -i in.move.LJ
 (Linux)     lmp_serial -i in.move.LJ
6. check what's new in the folder:
      dir      
(or use ls in PowerShell)

7. use gnuplot to plot the data:
      gnuplot
typing the following line in gnuplot:
      p 'data' w lp
quit by typing q
(p = plot, w = with, lp = line+point)
8. open Ovito, File -> Load File, click on a100.dump


Note:

1. Use Tab Completion to Type Commands Faster on Any Operating System.
Tab completion is an extremely helpful feature in nearly any command-line environment,
whether you’re using the Bash shell on Linux, Command Prompt or PowerShell on Windows,
or a terminal window on Mac OS X.
Just hit Tab while typing a command, option, or file name and the shell environment will automatically complete what you’re typing or suggest options to you.

2. Ctrl + C to cancel the current process;

3. del a* to delete any file starting with a;
or rm a* to delete any file starting with a in PowerShell;






如有软件安装或 MD 课程中的任何疑问,请联系 cms.sjtu@gmail.com
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