Dear all,<?xml:namespace prefix = o ns = “urn:schemas-microsoft-com:office:office” />
I would like to know whether this command:
“compute 1 all pressure thermo_temp ke pair kspace”
is the right one to obtain the pressure tensor without contributions from the bond, angle and dihedral forces?
Can one then use pxy, pyz, pzx, pxx, pyy, pzz to access the various components of this modified pressure tensor?
Best Regards,
Sten Sarman
Dear all,<?xml:namespace prefix = o ns =
"urn:schemas-microsoft-com:office:office" />I would like to know whether this command:
"compute 1 all pressure thermo_temp ke pair kspace"
is the right one to obtain the pressure tensor without contributions from
the bond, angle and dihedral forces?
please see http://lammps.sandia.gov/doc/compute_pressure.html for what
the compute does. if doesn't say it does it, then it doesn't do it.
Can one then use pxy, pyz, pzx, pxx, pyy, pzz to access the various
components of this modified pressure tensor?
no. please see http://lammps.sandia.gov/doc/compute_pressure.html for
how to access the pressure tensor from this compute.