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Commit d12454d

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bugfix
1 parent 8a30e2a commit d12454d

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source/lib/src/NNPInter.cc

Lines changed: 2 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1696,12 +1696,8 @@ compute_relative_std_f (vector<VALUETYPE> &std,
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const vector<VALUETYPE> &avg,
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const VALUETYPE eps)
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{
1699-
unsigned ndof = std.size();
1700-
unsigned nloc = ndof;
1701-
assert (nloc == ndof);
1702-
rel_std.resize(nloc);
1703-
fill(rel_std.begin(), rel_std.end(), VALUETYPE(0.));
1704-
for (unsigned ii = 0; ii < nlocal; ++ii){
1699+
unsigned nloc = std.size();
1700+
for (unsigned ii = 0; ii < nloc; ++ii){
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const VALUETYPE * tmp_avg = &(avg[ii*3]);
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VALUETYPE vdiff[3];
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vdiff[0] = tmp_avg[0];

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