Reviewing the table potential
In this section, we will learn about the various methods that implement the pair table potential.
The table pair potential described by pair_table.cpp and pair_table.h reads a file containing potential and force values tabulated for a list of data points corresponding to separations between atoms. When the force or potential at a particular separation is required, one or more of the data points in the file closest to the required separation are used to interpolate the force and potential.
The following LAMMPS inputs script commands are used to implement this pair style:
pair_style table TABLE_STYLE N KEYWORD pair_coeff TYPE1 TYPE2 FILE_NAME VARIABLE CUTOFFs
From the preceding code, TABLE_STYLE has to be one of the styles mentioned in the LAMMPS manual (LINEAR, LOOKUP, SPLINE, or BITMAP), and N is the number of data points and KEYWORD is an optional entry for long-range solvers described in the...
