making "user" modules

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1

Hello LAMMPS list,

I just have some random goodies that other people may have no use for but I am maintaining them, basically just a modified “hmc” that does the standard P.E. MC sampling and a simple dump visualization tool for GCMC runs. Can I just make a new “user-tools” package with my stuff? It doesn’t even really need to go into your official distribution if you don’t like the code but I’ve just been playing with it in combination with your gcmc and “fix nvt” to see what happens in these simulations when I throw lipids into the simulation box… I see aggregation but wonder if implicit solvent thermodynamics are correct because it’s not quite a bilayer.

So is there a simple instructions to make a package? I just put my code in the main folder and it just builds it into LAMMPS distro right now.

Thanks,
Luke

2

What I am doing is putting my files into a folder (tool) in src directory.
Use the command

Make yes-tool

To copy the folder to main src
And it works.

Yi

3

If you want to submit your files or package for inclusion
in LAMMPS, then the instructions are in Section 10.15 of the
manual.

Steve