Dear LAMMPS users,
Hi. I am very new user of lammps. I am trying to simulate amorphous SiO2 and a polymer interactions. Please advice me to learn lammps as quickly as possible such as related tutorials and valuable video tutorials. However, I watched several videos from youtube.
Furthermore, I would like to simulate amorphous SiO2. I checked some references that used the tersoff potential. I tried to use the tersoff potential for demo system of SiO2. However, I received the error in my .dat file as following: ERROR: Invalid data file section: Bonds (src/read_data.cpp:520)
Is it need to use hybrid potential with tersoff?
Best regards
Miji
Dear LAMMPS users,
Hi. I am very new user of lammps. I am trying to simulate amorphous SiO2 and a polymer interactions. Please advice me to learn lammps as quickly as possible such as related tutorials and valuable video tutorials. However, I watched several videos from youtube.
there are no shortcuts. doing correct and meaningful MD simulations is more a craft than a science (the science part is what you learn from them) and like other crafts it is important to not cut corners and practice a lot doing simple things to slowly graduate to doing more complex simulations.
Furthermore, I would like to simulate amorphous SiO2. I checked some references that used the tersoff potential. I tried to use the tersoff potential for demo system of SiO2. However, I received the error in my .dat file as following: ERROR: Invalid data file section: Bonds (src/read_data.cpp:520)
that means two things: a) your data file is inconsistent (the exact format is described in the documentation for the read_data command) b) you must not use bonds with tersoff, since bonds are implicit in a tersoff potential.
Is it need to use hybrid potential with tersoff?
no. you must not define bonds in your data file.
axel.