cutoff radius of PPPM

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1

Dear LAMMPS usrs.

Now I am using PPPM fortran version to calculate long-range Coulomb force.

In order to use PPPM, I should write accuracy(long_prec) and cutoff radius (cutcoul) for ‘coulomb style’ command in input script.

However, in C version, cutoff radius is suggested by program.

With fortran version, should user change the optimal value of cutoff radius depending on the system?

2

In both the C++ and Fortran version, the cutoff is determined
by the short-range pairwise interactions. The long-range Coulombic
solver uses the same cutoff.

Steve