Dear all,
i am trying to twist a block by using rotate command
about x-axis as block is aligned in x-direction in its length.i want
know the torque due to with increasing twist in a particular group of
atoms in the block, about x-axis. shall i use compute property/atom
tqx,tqy,tqz and reduce the vectors in different directions or there is
some other way out?
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for mailing list subscription management. thanks.
Dear all,
i am trying to twist a block by using rotate command
about x-axis as block is aligned in x-direction in its length.i want
know the torque due to with increasing twist in a particular group of
atoms in the block, about x-axis. shall i use compute property/atom
tqx,tqy,tqz and reduce the vectors in different directions or there is
some other way out?
the torque that you are looking for is not a per-atom property,
so you cannot get it from a per atom torque (which is only
available for shaped particles anyway).
you have to dig out your old text book on vector
algebra and compute it yourself. either by writing
a compute or by post-processing per atom forces.
axel.
Dear Karan,
Actually there is a group function that you can use in a variable to
compute the torque on a group: torque(group,dim) or
torque(group,dim,region), see the doc page of the variable command.
Best,
Laurent
Dear Karan,
Actually there is a group function that you can use in a variable to
compute the torque on a group: torque(group,dim) or
torque(group,dim,region), see the doc page of the variable command.
ugh, my bad.
don't you sometimes think that lammps has too many features?
axel.