This commit is contained in:
Eisuke Kawashima
2020-03-14 12:38:28 +09:00
parent fa7085be07
commit 649a8cc01a
401 changed files with 617 additions and 617 deletions

View File

@ -508,7 +508,7 @@ 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