Rolf Stierle

Results 2 issues of Rolf Stierle

Binned statistic like [scipy.stats.binned_statistic_dd](https://docs.scipy.org/doc/scipy/reference/generated/scipy.stats.binned_statistic_dd.html) similar to [ndarray_stats::histogram::Histogram](https://docs.rs/ndarray-stats/0.3.0/ndarray_stats/histogram/struct.Histogram.html) would allow calculation of more statistical features like weighted histograms, means, variances, min, max etc. of each bin. I would like to add...

https://github.com/feos-org/feos/blob/01d82386b4f34daf4a607fe8aaab637b6d7cce22/feos-dft/src/adsorption/pore3d.rs#L140 For periodic porous media, wouldn't we want to include the molecular interactions of the periodic images, since the porous media is also periodic? This would make this check obsolete.

help wanted
DFT