Regarding read_data

Dear Freinds,

I am new in LAMMPS. I would like to simualte TiO2 rutile nanoparticles. please kindly let me know:

  • First, any software which can help me to make input file . actually, it seems that Avagadro cannot export the LAMMPS input file easily.

  • second, is required force filed available for rutile available in LAMMPS database?

Yours

Bahman Daneshian

Dear Freinds,

I am new in LAMMPS. I would like to simualte TiO2 rutile nanoparticles.
please kindly let me know:

- First, any software which can help me to make input file . actually, it
seems that Avagadro cannot export the LAMMPS input file easily.

http://lammps.sandia.gov/prepost.html

- second, is required force filed available for rutile available in LAMMPS
database?

that is not how things work. LAMMPS supports many kinds of force
fields or models and there are many parameter sets for those. only a
small subset is shipped with LAMMPS. others have to be downloaded from
other sources or input from their respective publication. before
starting to work with LAMMPS itself, you have to study the published
literature to find out which model and parameter set is best suited
for your research, *then* you should check, if this model is supported
by LAMMPS and finally you can see, if there is a bundled parameter
file for that, or if you have to input the parameters yourself.

axel.