Dear Lammps users. I would like to the other package from the other to calculate the specific properties How to I compile the package( xxx.cpp) I paste the xxx.cpp and xxx.h to src folder and then Should I just enter this commend like make yes-xxx ? How I compile the xxx.cpp ? Please give me some tips I attached the cpp files compute_gkma.cpp (7.8 KB) compute_gkma.h (1.6 K…

Hello, I want to calculate the interactions between two groups of atoms. One is carbon atoms with diamond structure without giving any potentials, the other one is SiC with Tersoff potential. And the interactions between these two groups are represented by Morse potential. I read the manual that compute group/group cannot be used for pairwise potential, so does that mean I cannot …

I know that LAMMPS can calculate the pressure profile using Irving-Kirkwood method. Is it applied for long-range forces too or only short-ranged ones? 1 post - 1 participant Read full topic

Dear LAMMPS community, I am hoping to get some advice. I am currently trying to build and tune LLAMPS on an HPC system that uses Fujitsu’s A64FX chip. The main goal here to build with Scalable Vector Extension (SVE) support to take advantage of this CPU architecture. So far, I’ve successfully built LLAMPS with GCC 11, ARM compilers version 21, and the Fujitsu Compilers (combine…