Dear LAMMPS Users,
I have a query about fix rigid/nve/small molecule command. I am using a hybrid atom_satyle (bond & sphere) for a system containing finite size particles and point particles. So I want to treat these finite particles as a rigid body and also trying to compute the proeprties by using ‘compute rigid_local’ command (works only for fix_rigid/small and its variants). But when I am using the command ‘fix 1 finite rigid/nve/small molecule’ its showing the following error;
ERROR: One or more rigid bodies are a single particle (…/fix_rigid_small.cpp:1576)
These finite particles are of same molecule ID. I have read the previous discussions on this topic but that suggestions does not hlep me…
Please give me some suggestions…
Thanks in Advance
Dear LAMMPS Users,
I have a query about fix rigid/nve/small molecule command. I am using a hybrid atom_satyle (bond & sphere) for a system containing finite size particles and point particles. So I want to treat these finite particles as a rigid body and also trying to compute the proeprties by using 'compute rigid_local' command (works only for fix_rigid/small and its variants). But when I am using the command 'fix 1 finite rigid/nve/small molecule' its showing the following error;
ERROR: One or more rigid bodies are a single particle (../fix_rigid_small.cpp:1576)
These finite particles are of same molecule ID. I have read the previous discussions on this topic but that suggestions does not hlep me..
LAMMPS tells you that you are trying to define rigid bodies that have
only one constituent particle. that doesn't work and it doesn't make
any sense, in the first place.
axel.
Thank you sir for your reply…
I have more than one particle in the group which I am defining as a rigid body using ‘rigid/nve/small’ command. In this case also its showing the error as I explained above. These particles are having the same molecule-ID. But having more than one constituent particles. I think that will not leads to this type of an error…
Dear LAMMPS Users,
I have a query about fix rigid/nve/small molecule command. I am using a hybrid atom_satyle (bond & sphere) for a system containing finite size particles and point particles. So I want to treat these finite particles as a rigid body and also trying to compute the proeprties by using ‘compute rigid_local’ command (works only for fix_rigid/small and its variants). But when I am using the command ‘fix 1 finite rigid/nve/small molecule’ its showing the following error;
ERROR: One or more rigid bodies are a single particle (…/fix_rigid_small.cpp:1576)
These finite particles are of same molecule ID. I have read the previous discussions on this topic but that suggestions does not hlep me…
LAMMPS tells you that you are trying to define rigid bodies that have
only one constituent particle. that doesn’t work and it doesn’t make
any sense, in the first place.
axel.
Thank you sir for your reply...
I have more than one particle in the group which I am defining as a rigid body using 'rigid/nve/small' command. In this case also its showing the error as I explained above. These particles are having the same molecule-ID. But having more than one constituent particles. I think that will not leads to this type of an error..
it doesn't matter how many atoms are in the group.
i am confident, that LAMMPS is correctly behaving as documented. so
the error has to be in your input, which you need to compare carefully
to the documentation.
if you have conclusive proof, that LAMMPS is not behaving according to
the documentation, please file a proper bug report at
https://github.com/lammps/lammps/issues and provide complete and
reproducible evidence as indicated.
axel.
Sure sir… I will check it once again and I will cross check my input file as well.
Thank you sir for your reply…
I have more than one particle in the group which I am defining as a rigid body using ‘rigid/nve/small’ command. In this case also its showing the error as I explained above. These particles are having the same molecule-ID. But having more than one constituent particles. I think that will not leads to this type of an error…
it doesn’t matter how many atoms are in the group.
i am confident, that LAMMPS is correctly behaving as documented. so
the error has to be in your input, which you need to compare carefully
to the documentation.
if you have conclusive proof, that LAMMPS is not behaving according to
the documentation, please file a proper bug report at
https://github.com/lammps/lammps/issues and provide complete and
reproducible evidence as indicated.
axel.