Log: public feasst::AnalyzeWriteOnly¶
Periodically print the status of the Criteria and Trials in a one-line comma separated value format with headers.
This log file is designed more for checking status than computing ensemble averages. To compute ensemble averages, consider using a custom Analyze or accumulating the averages every trial step inside your script.
The ordering of the columns may change at any time. Thus, do not assume a particular order when analyzing the log file. Instead, use the headers to specify columns. For example, the pandas module in python is ideal for this task.
header(const Criteria &criteria, const System &system, const TrialFactory &trials) const¶
Return the header for writing.
initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)¶
Initialize and precompute before trials.