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[lammps-users] I need to add lammps_create_atoms() to Fortran interface
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[lammps-users] I need to add lammps_create_atoms() to Fortran interface


From: rbasir <rbasir@...3833...>
Date: Wed, 9 Aug 2017 18:54:54 +0000

Hello LAMMPS users,


I'm writing my algorithm in Fortran using lammps as a library and when I increase the number of processes  I see lost atoms error and I figured out that is because I'm scattering the coordinates to the atoms which currently have coordinates ( different ones) so when LAMMPS tries to create a new neighbor list some of the atoms should migrate to the correct procs and in this process some of them can be lost.  I just downloaded the new version(31 mar 17) and I'm seeing there is a new function ( lammps_create_ atoms() ) in a library.cpp and designed to overcome this problem but the developers did not put it in the Fortran interface. Can anybody help to write a interface for fortran?


Thanks,


Ramin Basir