I am trying to run a simulation of two atom types Carbon and Oxygen. Total of 100 atoms. If I am running this simulation for only one atom type carbon, it’s working just fine but if I am adding Oxygen in the data file, it’s giving me the following error.
ERROR: All pair coeffs are not set (…/pair.cpp:233)
I have attached my data file, input file, and log file. If anybody could help that would be very great.
PE_cl100.in (1.42 KB)
PE_cl1002.dat (21 KB)
log.PE_cl100.txt (1.34 KB)