Changed the criterion to detect the multiplicity.

The issue #1 was cured slightly, but not perfectly
ttadano · Nov 19, 2017 · 761555d · 761555d
1 parent dac5dd7
commit 761555d
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/anphon/dynamical.cpp b/anphon/dynamical.cpp
@@ -219,7 +219,7 @@ void Dynamical::prepare_mindist_list(std::vector<int> **mindist_out)
 
             dist_min = distall[i][j][0].dist;
             for (auto it = distall[i][j].cbegin(); it != distall[i][j].cend(); ++it) {
-                if (std::abs((*it).dist - dist_min) < eps8) {
+                if (std::abs((*it).dist - dist_min) < 1.0e-3) {
                     mindist_out[i][j].push_back((*it).cell);
                 }
             }

diff --git a/anphon/ewald.cpp b/anphon/ewald.cpp
@@ -327,7 +327,7 @@ void Ewald::get_pairs_of_minimum_distance(const int nat, const int nsize[3], dou
                  it != distall_ewald[iat][jat].end(); ++ it) {
                 if (it == distall_ewald[iat][jat].begin()) dist_hold = (*it).dist;
                 dist_tmp = (*it).dist;
-                if (std::abs(dist_tmp - dist_hold) < eps8) multiplicity[iat][jat] += 1;
+                if (std::abs(dist_tmp - dist_hold) < 1.0e-3) multiplicity[iat][jat] += 1;
             }
 
         }