Dear Sir:
I am trying to simulate nanometric machining. I use a “read_data” file for the tool and “create_atoms” command for producing my workpiece. My problem is that after finishing the run and checking it in the log file, I found that “0 atom is created”.
I have been struggling a lot with this code and could not solve this issue. I enclosed that troubled coding.
I am suspicious about 2 things:
1- What is the simulation box in such problem? Is the “read_data” the bounds of our simulation box?
2- Should I use “create_box” for the workpiece?
Yours Faithfuly
Nader Ameli
Dear Sir:
I am trying to simulate nanometric machining. I use a “read_data” file for
the tool and “create_atoms” command for producing my workpiece. My problem
is that after finishing the run and checking it in the log file, I found
that “0 atom is created”.
I have been struggling a lot with this code and could not solve this
issue. I enclosed that troubled coding.
I am suspicious about 2 things:
1- What is the simulation box in such problem? Is the “read_data”
the bounds of our simulation box?
yes, the box is created by read_data. please observe the message that
LAMMPS prints about it in your output. you either have to adjust it
directly in the data file or use the change_box command, if the box
dimensions are not what you desire.
2- Should I use “create_box” for the workpiece?
no. you cannot. in a LAMMPS simulation, you can create the box only once.
the issue for not having atoms created has likely a different reason: your
region for creating atoms may be outside the box.
please review the documentation for the region command very carefully and
pay special attention to the "units" keyword and the fact that it defaults
to "lattice" and not "box", which means that all lengths are multiplied by
a factor. this may result in a lack of overlap between your simulation box
and your region and LAMMPS will only create atoms in the overlap volume.
axel.