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- fixed a bug with output dublication
author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Tue, 27 Oct 2020 13:20:29 +0000
(16:20 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Tue, 27 Oct 2020 13:20:29 +0000
(16:20 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index dc9b765b62a4dbcbccc1c92d74a648128711937e..bf311a0cce8e93b566288e8b8bb4b2cb782ebf4f 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-348,7
+348,7
@@
void colorsStackingSearch(const t_pbc *inputPBC, const std::vector< gmx::RVec >
output[i].resize(0);
}
for (size_t i {0}; i < outputTemp.size(); ++i) {
- for (size_t j {
0
}; j < outputTemp[i].size(); ++j) {
+ for (size_t j {
i + 1
}; j < outputTemp[i].size(); ++j) {
if (static_cast< float >(outputTemp[i][j]) >= static_cast< float >(colorsIndex.size()) * epsi) {
output[i].push_back(j);
output[j].push_back(i);