Hello,
I am a beginner of atat. May I check whether there is such a code/function that I can get the values of objective function and correlation mismatch for a given structure of alloy? Thanks!
Hello,
I am a beginner of atat. May I check whether there is such a code/function that I can get the values of objective function and correlation mismatch for a given structure of alloy? Thanks!
The corrdump command will give you the correlation function values that you request.
See
corrdump -h
for help.