Hi,
I have a question regarding running ave in lammps. I found the following in the manual
"“For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on timesteps 90,92,94,96,98,100 will be used to compute the final average on timestep 100. Similarly for timesteps 190,192,194,196,198,200 on timestep 200, etc. If Nrepeat=1 and Nfreq = 100, then no time averaging is done; values are simply generated on timesteps 100,200,etc.”
I used
a) Nevery=10, Nrepeat=1, and Nfreq=10 in order to output the output every 10 steps.
Time-averaged data for fix 5b
TimeStep c_1 c_4
0 -4.00762 3.9928
10 -4.00839 3.99734
20 -4.00771 4.00058
30 -4.0054 4.0026
40 -4.00357 4.00495
50 -4.00125 4.00772
b) Nevery=1, Nrepeat=1, and Nfreq=1
Time-averaged data for fix 5
TimeStep c_1 c_4
0 -4.00762 3.9928
1 -4.00774 3.9934
2 -4.0078 3.99394
3 -4.0079 3.99445
4 -4.00798 3.99492
5 -4.00805 3.99535
6 -4.00812 3.99571
7 -4.0082 3.99602
8 -4.0083 3.99629
9 -4.00839 3.99681
10 -4.00846 3.99727
and I compared the values lammps gives me in the set (b) at step 10 with the data in the set (a) and they were slightly different values. I don’t understand the reason. Does lammps still do some averaging?
I really appreciate if you can help me with this issue.
Best,
Shahzad