I have used LAMMPS 2001 (fortran version) for a long time. Now I need to deal with electrostatic force in my simulation. I know PPPM method is quite effecient to handle this, but I didn’t find a fortran version of this subroutine. The LAMMPS 2001 version has only C (maybe C++) version of the subroutine, which I’m not familiar with. Did you guys happen to have fortran version of PPPM code for LAMMPS?
Another way is to compile fortran and C code at the same time and then combine them into an excutable file. Now I copied all fortran files of LAMMPS into one file and compile that file using mpif90, but I don’t know how to add C file into a fortran file and compile it.
Anyone can tell me how to do this?
Any suggestions and help are highly appreciated!