Hi,
i am doing lammps calculation and i use meam potential for my calculations. i always use this command for my pair_coeff :slight_smile :
‘* * …/potentials/library.meam Si C…/potentials/SiC.meam Si C’
which gives me the correct results.
now I am using calphy package to do free-energy calculation and in my calphy script I also specified pair_coeff command and I used the same command as I mentioned for lammps calculation but it gives me this error:
Exception: ERROR: No MEAM parameter file in pair coefficients (src/MEAM/pair_meam.cpp:229)
can you guide me please?
Thank you
This calphy package is not part of LAMMPS, so you either need to contact the developers of that package for assistance or debug it yourself since we don’t know how it generates the input file that is being fed to LAMMPS. There may be a way to intercept this input, but - again - that is a primarily a calphy issue not a LAMMPS issue. Comparing that generated input to the LAMMPS documentation should help you to figure out what is going wrong.