Documentation, tweak temperature calc logic. #39
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terrycojones
commented
Oct 10, 2020
| else: | ||
| T = abs(dE) | ||
| dE = self.energy() - E | ||
| T = abs(dE) |
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I don't think there's any reason to call abs() here, given that the loop condition is while T == 0.0.
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Should be the same behavior as before wrt T but I like this approach as dE can be used later in the code and have semantically-accurate values regardless of the return value of move(). 👍
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@terrycojones Thanks for the contribution! Agreed with all the changes, I'll get this into the next release. |
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Hi. This is a very nicely designed package - thank you! I made a few small suggestions while reading the code. Feel free to ignore or cherry pick, etc.