Hello lammps users, there any way to include the gsl in lammps because I
need use this library, specially the hyper-geometric function for define a
potential for cylindrical pore, any idea that should be modified in the
Makefile, this problem is similar to include the FFTW library.
Thanks
Samuel
Hello lammps users, there any way to include the gsl in lammps because I
need use this library, specially the hyper-geometric function for define a
potential for cylindrical pore, any idea that should be modified in the
Makefile, this problem is similar to include the FFTW library.
please have a look at how the VORONOI package is integrated into
LAMMPS. the voronoi/atom compute is dependent on the Voro++ as an
external library. so that could work as a template for your purposes.
you may also want to check if there is a reasonably self-contained
implementation that is simple enough (and with a compatible license)
so that it could be included as a copy. this is done in LAMMPS for
FFTs, which fall back to a stripped down and adapted copy of the
KissFFT library, which is really tiny (< 500 lines including comments)
and still quite efficient.
axel.
How big is the routine you need? If I'm not mistaken the GSL and
LAMMPS share the same license (GPL). Can you simply cut and paste the
routines you need into your code, and give credit to the original
source?
For example, there are 115 lines of GSL code in
"dihedral_table.cpp". In that file, we credit the original author
(Gerard Jungman, author of "solve_cyc_tridiag()"), as well as GSL at
the beginning of the file. I don't think these extra 115 lines
clutter up (or duplicate) the LAMMPS code. (It's a tiny fraction of
the 1500 lines of code for dihedral_table.cpp.) In this particular
case, it felt like forcing users to download and compile the entire
GSL just to be able to use this dihedral style would not serve the
interests of LAMMPS community. Perhaps I'm wrong. I post this
message partially because I'm confused about licensing issues as well.
Cheers
Andrew