How to read multiple input data by lammps

LAMMPS LAMMPS Mailing List Mirror
1

hi all

i’m trying to make a cell structure including different input data structures; one as a basement and the other ones as small particles at specific position (like as metal alloy). how can i import multiple input data by lammps? is there any software that i can make this?

2

you can’t do this. You can only read one data file
for a single simulation. You can pre-process the multiple
files into one data file. The “data” tool in Pizza.py could
help you do this, with a short Python script.

Steve

3

you can't do this. You can only read one data file
for a single simulation. You can pre-process the multiple
files into one data file. The "data" tool in Pizza.py could
help you do this, with a short Python script.

Steve

Also check out topotools:

https://sites.google.com/site/akohlmey/software/topotools/topotools-tutorial---various-tips-tricks#TOC-Combine-multiple-data-files-with-overlap-detection-and-removal

(You can also merge data files with a combination of ltemplify.py and
moltemplate.sh. There's an example of this here:

but this currently does not remove overlapping molecules.)

Anyway, try using topotools first!