[lammps-users] Change extension for SW potential file name

LAMMPS LAMMPS Mailing List Mirror
1

Dear All,

I implemented a new force field pretty much similar to the existing SW
with electrostatic considerations. I would like Lammps to read the
potentials from file with a different extension than ".sw"
I search the code to check where the extension ".sw" is specified
without success.
Any idea?

Thanks in advance foe any help.

Best wishes,

Adama

2

Dear All,

I implemented a new force field pretty much similar to the existing SW
with electrostatic considerations. I would like Lammps to read the
potentials from file with a different extension than ".sw"
I search the code to check where the extension ".sw" is specified
without success.
Any idea?

how about, lammps doesn't check the extension at all?
have a look at pair_sw.cpp.

the coeff() method takes the third argument and calls the read_file()
method. no check on extensions at all. the code will read whatever
file name you give it (after all, it is written with unix in mind, where
extensions are merely a convention to be able to tell files apart and
do not change the functionality as such).

cheers,
     axel.

3

Axel,

Thank you very much for your answer. This is exactly what I though but I
was not very sure.

Best wishes,

Adama