You can use my “compute tc command” to obtain the file of normalized HCACF(“ac.dat”) and thermal conductivity(“tc.dat”) directly, the .cpp and .h file will be attached in my next email to lammps maillist.
I have send the command to lammps maillist for several times, but no one notices it, what a pity!
And many users in China have started to use the command.
I think the command is easier to use than correlate.py.
I think you are a Chinese like me, so you can just see the command here--------http://simulation.5d6d.com/thread-26298-1-1.html, which is a forum of LAMMPS in China.
I noticed it - and thank you for posting it. People are welcome
to try it out.
Someone else has written a fix that (I think) time correlates any quantity,
so I am waiting to see what it looks like before releasing something
like this with LAMMPS.
OK, this is a better news.
— 10年6月19日，周六, Steve Plimpton [email protected] 写道：