Small improvements in the function trace_over_vibrations() of the class AggregateBase. Instead of calculating the product of Franck-Condon factors for every time step inside the first band, we can save these products ahead and use them for looping through vibrational states.
Testing
There are already unit tests for trace_over_vibrations function in test_aggregates.py file. I propose one more test for tracing over the first band.
I merged the pull request despite failing tests. The fails are on the side of the current master branch and the pulled changes are likely not to interfere with fixing the current failure.
Description
Small improvements in the function trace_over_vibrations() of the class AggregateBase. Instead of calculating the product of Franck-Condon factors for every time step inside the first band, we can save these products ahead and use them for looping through vibrational states.
Testing
There are already unit tests for trace_over_vibrations function in test_aggregates.py file. I propose one more test for tracing over the first band.