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mattwthompson / scattering

Functions for analyzing molecular simulations according to scattering experiments
MIT License
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'find_all_minima' to include global minima #60

Open lisankim0321 opened 3 years ago

lisankim0321 commented 3 years ago

For better selection of upper and lower bounds of the integral calculation in get_auc, find_all_minima now has global minima in the array.

rmatsum836 commented 3 years ago

Thanks! Could you add a test case that checks that the minima is correctly grabbed? This would be similar to the partial VHFs we talked about previously.

rmatsum836 commented 3 years ago

Some functions you could try grabbing the minima of: x^2, 2^x, sqrt(x), logit (https://docs.scipy.org/doc/scipy/reference/generated/scipy.special.logit.html).