Hi lammps users,
Currently I am trying to use the delete_atom command, and encounter an empty numneigh (# of J neighbors for every I atom = 0) inside the delete_overlap function when I stepped through the code using gdb.
Background info:
I am running a test on 20 atoms, and using a single processor. The neighbor list has been requested, and all the domain and comm setups are done correctly. Please let me know why the # of J neighbors is zero?
Many thanks,
Sheng-En Lin
Hi lammps users,
Currently I am trying to use the delete_atom command, and encounter an empty numneigh (# of J neighbors for every I atom = 0) inside the delete_overlap function when I stepped through the code using gdb.
Background info:
I am running a test on 20 atoms, and using a single processor. The neighbor list has been requested, and all the domain and comm setups are done correctly. Please let me know why the # of J neighbors is zero?
How should anybody know without being a psychic??
There is far too little information and how do you know that everything is set up correctly?
Sir,
Sorry for not being clear, I guess my question should be what are some possible causes to this situation?
I didn’t tweak any part of the setup code, so I assumed they are not the issue.
Many thanks,
Sheng-En Lin
Sir,
Sorry for not being clear, I guess my question should be what are some possible causes to this situation?
That doesn’t help much either. Without any means to reproduce and see what you see there nothing but random guessing.
Did you modify any of the code? If so, how do you
know you did not introduce a bug?
Steve
Sir,
The code just didn’t have any value inside numneighi initially(timestep < 100), but it works now after I changed the skin to be 10 times larger from 0.002 to 0.02.
Sorry for another long question,
Background:
For now I am trying to implement a .cpp that is almost identical as delete_atoms.cpp, except in the overlap function of my new code, I want to add the rmass[i] (type i) into rmass[j] (type j) when the temperature is more than e.g 100 F. Since temperature is not the attribute of granular type, I would like to know how would you add a new atomic property using fix property/atom to be used by a command style class?
My attempt:
When I tried using find_custom(), the command style class says the new property is undefined. That made me think that command style classes execute before fix style classes? please correct me if I am wrong. Also I have read the developer guide many times, but did not see when command style class is invoked in a time step.
Many thanks,
Sheng-En Lin
Command styles execute immediately and only once. Fix styles are executed at one or more hooks during the time step according to its mask.
How to add a property is explained in the manual.
The rest cannot be explained easily. You have to study the developer manual more carefully and completely and also read more of lammps sources.