moldyn/dcTMD

Memory kernel calculation from forceset estimator

Opened this issue · 1 comments

On trying to calculate the memory kernel from the dcTMD it is showing the error attached below. So, I checked the forceestimator class and there was no "delta_force_" variable instead a "delta_force_array" variable was present. Can anyone please let me know if there is a typo bug in the code or I am doing any mistake in understanding how to use the memory kernel function.
Screenshot 2023-06-23 at 10 01 10 PM

Thank you for pointing out this bug to us. Sadly, changing the variable names alone does not fix it. I do not now the functional form of this equation and can therefore not resolve this issue. Once the lecture finishes, so approx August, I hope that one of the other maintainers find some time to fix this issue.
@dieJaegerIn @floWneffetS