reax/c : constant electric field

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1

Dear lammps users,

Hello everybody

I’d like to apply a constant external electric field on my system. I know that the external electric field in my simulations is a classical approximation and it just impose electric forces on my charged elements. For comparison of an external electric field operation between ReaxFF Fortran source code and reax/c lammps package I made a very simple system as below:

200 H2 molecules in a cubic box (a=160 A)

1 Like
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Dear lammps users,

​[...]​

I have a questions, I didn’t have any error on the electric field command,

yet I didn’t see any result. What accrues for the electric field in the
lammps package? Pleas kindly help me on this problem.

​please spend some time reading the documentation. the description of the
​fix efield command says it all:

Add a force F = qE to each charged atom in the group due to an external
electric field being applied to the system.

​so what happens to F when q is zero?​

​axel.​

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Dear Axel,

Thanks.

Ebrahim