"ewall[m+1] += fwall; " in the code of lammps

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1

Hello everyone,

I am reading the codes of lammps.
I am confused with line 75 (ewall[m+1] += fwall;) of fix_wall_lj126.cpp.
Anybody knows what does it used for?

Thanks in advance.
Houyang

2

Ewall is a length 4 array that stores the energy of
the wall interaction (loc 0) and the force on the
wall (locs 1-3). The line in question is adding
the force on the wall due to one particle to the
appropriate dimension m (1-3).

Steve

3

Hello Steve,

Thanks so much for your kindly reply.

Why stores the force on the wall (locs1-3)? When can we use these
force on the wall (locs1-3)?

When one rescales the temperature of systems, one only uses the information
of all particles in the system, right?

Thanks.

Houyang

4

Many fixes store quantities, so that you can access, output them.
See the fix wall doc page and section 4.15 of the manual.

Steve

5

Hi Steve,
thanks so much!
Houyang