Dear All,
In my simulation ,I am trying to print out all data from the command .. wall/gran/local .. to be in one txt file but I could not.
In Pre-atom or global data, It can be defined in (variable equal command) and then use (fix print command) to store all the data.
I am looking to print (local data) in one txt file (like print do). Is there any way to do that?
thank you in advance for your help.
Regards.
Chris
j-kerbl | Tue, 01/20/2015 - 09:59
Hi Christ,
Hi Christ,
the way you described it sounds right. That actually should do the job.
Did any data get to the file you specified?
Could you please post your exact commands?
Cheers
Josef
chris.ab | Tue, 01/20/2015 - 17:23
Hi Josef,
Hi Josef,
Thank you for your replay.
>Did any data get to the file you specified?
Unfortunately, no
that was my command:
variable w1 equal c_1
fix wcont all print 10 "${w1}" file contact.txt screen no
compute 1 all wall/gran/local id
I got error ((Mismatched compute in variable formula))
I think the reason is (variable equal command) can not except local data as input. And (wall/gran/local command) produces local data.
I tried:
dump wallcnt all local 20 wall/dump*.wcontact c_1[1] c_1[2] c_1[3]
it will gave me result every 20 timesteps.
I am looking to get all data in one file like (print do) so I can cope them and use it in Matlab.
Regards.
Chris
j-kerbl | Wed, 01/21/2015 - 13:56
Hi Chris,
Hi Chris,
now I understand what you are trying to do. The fix print command is not able to handle local data. I think for your purpose a compute reduce won't help as well. By the way, the compute should be defined, before you access it via a variable.
You could try to dump everything into one file by omitting the * in the dump-file-name. dump local should be able to do this
Cheers
Josef