Hi all,
I am trying to calculate the total number of contacts.
In my simulation, I used( compute contact/atom command) to calculate the number of contacts. Then, I used (fix print command )to store all the data in order to sum all the numbers and get the total number of contacts.
variable C1 equal c_NOC
fix cont all print 10 "${C1}" file contact.txt screen no
compute NOC gr contact/atom
From watching my simulation running in Paraview, there were only 4 contacts between the two balls. However,from print command, when I added all numbers that I got in text file(contact) , it showed that there are 17 contacts .
I found out that in :
fix ID group-ID print N string keyword value .......
each time I changed N (N = print every N steps) and then added all numbers (results), I got different total number of contacts.
N=20 ----- total number of contacts for one ball=8
N=10 ----- total number of contacts for one ball=17
My question is:
How can I get the exact total numbers of contacts to my simulation?
Please find attached input script and contact txt
Many thanks,
Abdul
| Attachment | Size |
|---|---|
 contact.txt | 58.63 KB |
| input_script.txt | 1.44 KB |
JoshuaP | Tue, 01/20/2015 - 10:18
hey
I never tried the fix print command but maybe try this
fix myID all ave/time 1 1000 1000 c_NOC file results.txt
It averages the values of 1000 steps. I hope that helps.
regards
Joshua
abdulrahmanalharbi | Tue, 01/20/2015 - 20:05
Hi Joshua ,
Hi Joshua ,
thank you.
I have tried ............fix myID all ave/time 1 1000 1000 c_NOC file results.txt
this command will give the average while I need the exact number.
Many thanks,
Abdul
richti83 | Wed, 01/21/2015 - 21:24
ave over 1 step
I think the exact number is outputted when you set every to N; Nrepeat to 1; and Nfreq to N. Where N defines every step the value is written.
For example, [...] Nrepeat=1 and Nfreq = 100, then no time averaging is done; values are simply generated on timesteps 100,200,etc.
(hidden in the manual)