Update from master

This commit is contained in:
Stan Moore
2020-04-24 12:18:53 -06:00
4403 changed files with 351321 additions and 157448 deletions

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@ -518,7 +518,7 @@ void ComputeOrientOrderAtom::calc_boop(double **rlist,
// TODO:
// 1. [done]Need to allocate extra memory in qnarray[] for this option
// 2. [done]Need to add keyword option
// 3. [done]Need to caclulate Clebsch-Gordan/Wigner 3j coefficients
// 3. [done]Need to calculate Clebsch-Gordan/Wigner 3j coefficients
// (Can try getting them from boop.py first)
// 5. [done]Compare to bcc values in /Users/athomps/netapp/codes/MatMiner/matminer/matminer/featurizers/boop.py
// 6. [done]I get the right answer for W_l, but need to make sure that factor of 1/sqrt(l+1) is right for cglist