basic query

By using the input files you have provided for water bulk calculation, I have successfuly ran the test. But what all is written in input file I want to understand that. So can u provide any source for understanding each and every line written in in.bulk input file or from where i can learn it.

In the directory where you install LAMMPS, there exists a doc directory with a HTML directory nested within. Open index.html in your browser and navigate to the “commands” page which contains all the commands used. Open the example input file of your interest Andreas up the usage and function of each command in the input file.

This is how I start off those who come to me to learn using LAMMPS. Once you get a hang of the commands make an input file for your problem.


LAMMPS comes with nearly 2000 pages worth of documentation (counted from the PDF version of the LAMMPS manual). There the details of how input files are parsed and also what are the options and meaning of all commands and specific flags are explained in great detail.

There is also tutorial material from LAMMPS workshops and tutorials posted on and
please have a good look.

it is not likely that somebody here has the time to give you a custom line-by-line commentary for a specific input (for which you didn’t even say which and where you took it from).