Dear all :
I am trying to compute a chunk/atom to study a spatial properties. The row that I'm currently using is :
- compute bin_water Water chunk/atom bin/3d z lower 0.5 units box
- fix Dens_Wat_One Water ave/chunk 1 5000 5000 bin_water density/mass ave one file Dens_Wat_One.txt
But It provides the following error :
- ERROR: Illegal compute chunk/atom command (../src/compute_chunk_atom.cpp:1954)
Have anyone found the same problem? I read the documentation about this compute : http://lammps.sandia.gov/doc/compute_chunk_atom.html
I don't understand what's the problem. Please tell what's wrong in this code.
Dear all :
I am trying to compute a chunk/atom to study a spatial properties. The row that I'm currently using is :
- compute bin_water Water chunk/atom bin/3d z lower 0.5 units box
- fix Dens_Wat_One Water ave/chunk 1 5000 5000 bin_water density/mass ave one file Dens_Wat_One.txt
But It provides the following error :
- ERROR: Illegal compute chunk/atom command (../src/compute_chunk_atom.cpp:1954)
Have anyone found the same problem? I read the documentation about this compute : LAMMPS Molecular Dynamics Simulator
I don't understand what's the problem. Please tell what's wrong in this code.
you request to bin in 3 dimensions, but you only provide binning
parameters for one dimension.
bin/3d args = dim origin delta dim origin delta dim origin delta
dim = x or y or z
origin = lower or center or upper or coordinate value (distance units)
delta = thickness of spatial bins in dim (distance units)
axel.