Hello everybody,
I want to write out the sums of the forces in x, y, and z of all particles in a defined group at eveyr 100 steps.
So I create a region
region count1 block -0.7 0.7 -3.0 -1.5 0.0 0.6 units box
then I create a goup
group count1 region count 1
But how to go on. I read in the manual about the compute property/atom command. As I understand this command will calculate e.g. the forces in x,y and z per atomand per step. But how to handle this. Is this the right way to solve my problem. How can I make these forces readable for me, maybe as an export?
I hope you can help me. Thanks a lot and
best regards,
Nils
m.farahani | Thu, 11/23/2017 - 12:46
compute reduce
I think you can use "compute reduce" to calculate the total force in each direction and then you can use "fix print" for writing them in a file according to your wishes timesteps.
Nils Borghoff | Mon, 11/27/2017 - 11:58
Thanks for the answer.
Thanks for the answer.
This solution works fine.
Best regards,
Nils