-
Notifications
You must be signed in to change notification settings - Fork 0
scottie33/one-click-lammps-log
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
pre-run: 1, lmp2pdb.py data.data (generate .psf and .pdb for post-processing) 2, after .dcd loaded by vmd: source doit.tcl run: 1, runlist.bash post-run: you can use the following cli to see your data-fig: 1, readlog.py 2, create_html.bash dependencies: a, draw_data.gpl please note, tempdata.gpl needed, so actually these 2 are important and portable for any drawing) b, showdata.bash *, topology of the usage: / create_html.bash readlog.py { \ getstress.py just hit them in your command line to see 'how to' e.g.: ./readlog.py example.log ./create_html.bash example.gnuplot.dat (this file is created by the last command) or ./readlog.py example.log Step example.inputfornextcmd ./create_html.bash example.inputfornextcmd 3, rdf.bash Attention: 1, for the [keyword], we shall set it the 1st keyword of dump keywords in your .log file, normally "Step" 2, nothing more so far... O(ne) C(lick) S(eries): Lammps .log file. Dependencies: bash, python, gnuplot; Comman Line Format : cmd log-filename. description: you will have a .html (or all figures in .eps) of the information you are able to get from .log from a Lammps production run. if any problem, improvement made, or any Q, please contact me: leiw@ustc.edu.cn
About
one click to get all figures you need from .log file of a Lammps production run.
Resources
Stars
Watchers
Forks
Releases
No releases published