read_data for multisphere

Submitted by ZYan on Mon, 05/02/2016 - 04:52

Dear Christoph, Dear users,

just wonder if the read_data command works for multi-sphere feature? If yes, what is the data file format? read_data works for molecule atom style, but I found atom style molecule and multisphere are not compatible . Thanks,
Cheers,
Zyan

Forums:

ZYan | Mon, 05/02/2016 - 17:03

Hi Richard,
This is a very clever idea. I have managed to change the code and put the clumps at the atP $x $y $z postion by using your codes. However, I notice that in the dump file the initial position (x y z) is not exactly the same as that is defined in the clump template data file. The real value seems to depend somehow on the seed number too!

fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. &
insert_every once overlapcheck no all_in no particles_in_region 1 atP 0.050 0.050 0.050 region reg ntry_mc 10000

My question is:
is it possible to copy the positions of the particles exactly from the data file?

Thank you.

Zyan

Westbrink | Tue, 05/03/2016 - 07:59

I am also using the same code for inserting clumps at a desired position.
In my simulation it works perfectly. Are you sure that in your first dump file, the inserted clump has not moved before, maybe depending on the gravity?

I set the seed value equal 1. I do not know if it has in impact.

The insert pack command with these additional code puts the center of gravity exactly on the position you defined before. Maybe you have to adjust the ntry value in your particletemplate/multisphere command to calculate the center of gravity more accurate.

ZYan | Wed, 05/04/2016 - 17:11

Hi, Westbrink,
Thank you very much. Your hint helped me. I didnot notice the atP $x ,$y,$ z is the mass center of the clump. I think the codes work fine now.
thanks,
Zyan