Hi,
I am a new user of Lammps. So for computing RDF in Lammps I need to specify the ID and groupID but I am not pretty sure from which part of the code I can get these two values. So my question is how to specify these two quantities. Any help regarding this matter will be appreciated. Another question is there any option to use Girlfalco potential in lammps?
Regards
Siladitya
Hi,
I am a new user of Lammps. So for computing RDF in Lammps I need to specify
the ID and groupID but I am not pretty sure from which part of the code I
can get these two values. So my question is how to specify these two
please have a look at some of the example inputs that lammps ships
with and have a good readthrough of the lammps manual. there are
lots of explanations of how each fix or compute or group or region needs
to have a "name" (= ID) and that fixes or computes act on groups
which are referenced by their name.
i would also recommend to start with something simpler than computing
g(r)s as that will make it easier to understand the principles.
quantities. Any help regarding this matter will be appreciated. Another
question is there any option to use Girlfalco potential in lammps?
not by this name, but there is the option to have tabulated potentials,
which means that you can have essentially _any_ pairwise additive
potential implemented in lammps. however, using tabulated potentials
requires some care when generating the tables.
cheers,
axel.
Hi,
Thanks a lot for you help.
Siladitya