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[lammps-users] partial force in virial
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[lammps-users] partial force in virial

From: Abolfazl Musavi <ab.musavi1990@...24...>
Date: Tue, 5 Dec 2017 05:38:36 +0330

Hello everyone

According to the reference of compute pressure command (Thompson et al. 2009), the virial term could be calculated with eq.25 (the atom form:
W=sum_n sum_i(r_in.F'_in)[i=1:N]
in which the "F'in is not the total force on an atom but rather the partial force". But, I could not see in the corresponding section of manual mentioning that the forces are "partial". (W=sum_i(r_i.f_i) [i=1:N')]

could anyone explain this discrepancy for me please?

thank you in advance for your time

best regards