SPPARKS as a library to LAMMPS

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1

Hi

I have installed the lammps-spparks couple program. As in the example file it takes in.spparks. But, is it currently possible to use some lammps input file and call the spparks package i.e. using spparks as a library for lammps? Could anyone give such an example? I have seen such thing mentioned in the SPPARKS manual, but its not very clear to me.

Best Regards
Kamal Choudhary

2

Have you looked at Sections 2.4, 4.2 and 4.3 of the SPPARKS manual? Also have a closer look at the example/COUPLE examples.

Ray

3

The lammps/spparks couple program runs
in a mode where there is a simple umbrella
program that sits on top of both LAMMPS
and SPPARKS (as instantiated libs). That
file is lmpspk.cpp, provided in the examples/COUPLE
dir. So neither LAMMPS is calling SPPARKS or
vice versa. The umbrella program is calling
both, and feeds each of them their own
input file.

Steve