[lammps-users] Setting up geometry

Dear Erin

One method I think is as following:
1, to create 2 in file (one for block, one for prism, with your desired geometry)
2, dump out the topological information of both without any run
3, combine the two dump file (change the atom ID and related information)
4, in a new in file, read the above date file, a box containing the two regions would be generated automatically.

Regards,
Chen Yu

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I’m trying to create a screw dislocation type geometry, but I am having some trouble building up my atoms. I want to create a sc lattice, orthogonal, next to a parallelopiped, with one plane of the atoms being tilted. I was using 2 region commands (a block and a prism), but I’m unsure how to create a simulation box that encloses both of the regions, since create_box seems to only allow one region. Any suggestions?

Erin