There should be a standardized output of the run-metrics and output of the local energies according to some rule.
The run-metrics should be calculated in the monte_carlo function of the VMC class.
I think the metrics we should record are:
Time spent over the monte-carlo loop
Accepted states per 1e3 cycles
Record the local energy in an iterable, once every 1e3 steps
The output should be to a file specified by a string class member of VMC that is set with the method set_params And the filename should contain meta-information about the run (that the file might need to contain?) i.e. number of particles, numeric or analytic solution, if there is interaction etc.
There should be a standardized output of the run-metrics and output of the local energies according to some rule.
The run-metrics should be calculated in the
monte_carlofunction of theVMCclass. I think the metrics we should record are:1e3cycles1e3stepsThe output should be to a file specified by a
stringclass member ofVMCthat is set with the methodset_paramsAnd the filename should contain meta-information about the run (that the file might need to contain?) i.e. number of particles, numeric or analytic solution, if there is interaction etc.