how to add a constant to LJ potential

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1

Dear all,

How to add the constant C to LJ potential in LAMMPS as follows?

unknown-S5TA1Y.png

For the second line I have to use “pair_modify shift” but I am not sure how to add C.

Best,

Fernanda

2

Dear all,

  How to add the constant C to LJ potential in LAMMPS as follows?

   For the second line I have to use "pair_modify shift" but I am not sure
how to add C.

​it is computed automatically from your cutoff when you issue the
pair_modify shift command.

if you need a different value of C, you first need to explain what you want
to use that for.

axel.​

unknown-S5TA1Y.png

3

Hi Axel,

I got it.

Thank you

Fernanda

unknown-S5TA1Y.png