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whitespace cleanup: remove trailing blanks

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This commit is contained in:
Axel Kohlmeyer
2019-11-03 11:03:39 -05:00
parent 9e7ca428aa
commit b6b022b610
69 changed files with 452 additions and 452 deletions
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10
src/compute_orientorder_atom.cpp
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@ -493,7 +493,7 @@ void ComputeOrientOrderAtom::calc_boop(double **rlist,
}
// calculate Q_l
// NOTE: optional W_l_hat and components of Q_qlcomp use these stored Q_l values
// NOTE: optional W_l_hat and components of Q_qlcomp use these stored Q_l values
int jj = 0;
for (int il = 0; il < nqlist; il++) {
@ -505,7 +505,7 @@ void ComputeOrientOrderAtom::calc_boop(double **rlist,
qn[jj++] = qnormfac * sqrt(qm_sum);
}
// TODO:
// 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
@ -673,7 +673,7 @@ void ComputeOrientOrderAtom::init_clebsch_gordan()
for(int m2 = MAX(0,l-m1); m2 < MIN(2*l+1,3*l-m1+1); m2++) {
bb2 = m2 - l;
m = aa2 + bb2 + l;
sum = 0.0;
for (int z = MAX(0, MAX(-aa2, bb2));
z <= MIN(l, MIN(l - aa2, l + bb2)); z++) {
@ -686,7 +686,7 @@ void ComputeOrientOrderAtom::init_clebsch_gordan()
factorial(aa2 + z) *
factorial(-bb2 + z));
}
cc2 = m - l;
sfaccg = sqrt(factorial(l + aa2) *
factorial(l - aa2) *
@ -695,7 +695,7 @@ void ComputeOrientOrderAtom::init_clebsch_gordan()
factorial(l + cc2) *
factorial(l - cc2) *
(2*l + 1));
sfac1 = factorial(3*l + 1);
sfac2 = factorial(l);
dcg = sqrt(sfac2*sfac2*sfac2 / sfac1);