I want to optimize MCMC displacement parameter in Fix GCMC on the basis of acceptance rate for a pure MC run. Is there any way to print this information? I could not find it in log file.
From the fix gcmc documentation:
This fix computes a global vector of length 8, which can be accessed by various output commands. The vector values are the following global cumulative quantities:
1 = translation attempts
2 = translation successes
3 = insertion attempts
4 = insertion successes
5 = deletion attempts
6 = deletion successes
7 = rotation attempts
8 = rotation successes
From these you should be able to get the information you need.
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