I am using reaxx forcefield for an energetic material. I am applying the parameters from reax.ff.lg directory and want to set up thb cutoff value 0.01. How should I include that in the input script? I am trying to understand the way it is written in the lammps documentation, but it’s not clear to me.
Dear Md. Rifat Hossain
In the Reaxff section of Lammps document, the default thb value is 0.001. It can be adjusted using the control file. I uploaded the example of the control file to adjust the thb cut-off. Please refer to the control file part of the Reaxff section for more detail. Then, you can include the control file in the input file
pair_style reaxff control.txt keyword value
In addition, I also upload an example of a more detail control file. Actually, you can find it in the Reaxff example folder
Regards,
Hallo dear Rifat
u can enter a control file by entering the additional settings and in the Apply settings section
and
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