[lammps-users] Virial contribution of body constraint forces

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1

Dear LAMMPS,

I have a question regarding the virial contribution calculated for rigid bodies. I see in the LAMMPS source code, fix_rigid.cpp, that the contribution to virial which appear in both initial_integrate() and final_integrate() functions is computed via the body constraint forces. Where could I find any reference on this issue?

Any suggestion is appreciated.

Thank you,

Trung

2

Ask Paul Crozier (pscrozi at sandia.gov) - he wrote the virial for
fix rigid.

Steve

3

Trung,

See the attached paper.

Paul

pressure tensor, velocity verlet, rigidbodies.pdf (102 KB)