MAINT: Fix typo

TheochemUI · Apr 25, 2024 · 06e6291 · 06e6291
1 parent 83e4508
commit 06e6291
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Showing 2 changed files with 10 additions and 10 deletions.
diff --git a/CppCore/rgpot/CuH2/cuh2Utils.cc b/CppCore/rgpot/CuH2/cuh2Utils.cc
@@ -5,7 +5,6 @@
 #include <limits>
 // clang-format on
 #include "rgpot/CuH2/cuh2Utils.hpp"
-#include "include/ReadCon.hpp"
 using rgpot::types::AtomMatrix;
 
 #ifdef WITH_XTENSOR
@@ -27,9 +26,9 @@ extract_positions(const yodecon::types::ConFrameVec &frame) {
 }
 
 xt::xtensor<double, 2>
-peturb_positions(const xt::xtensor<double, 2> &base_positions,
-                 const xt::xtensor<int, 1> &atmNumVec, double hcu_dist,
-                 double hh_dist) {
+perturb_positions(const xt::xtensor<double, 2> &base_positions,
+                  const xt::xtensor<int, 1> &atmNumVec, double hcu_dist,
+                  double hh_dist) {
   xt::xtensor<double, 2> positions = base_positions;
   std::vector<size_t> hIndices, cuIndices;
 

diff --git a/CppCore/rgpot/CuH2/cuh2Utils.hpp b/CppCore/rgpot/CuH2/cuh2Utils.hpp
@@ -22,9 +22,9 @@ namespace xts {
 xt::xtensor<double, 2>
 extract_positions(const yodecon::types::ConFrameVec &frame);
 xt::xtensor<double, 2>
-peturb_positions(const xt::xtensor<double, 2> &base_positions,
-                 const xt::xtensor<int, 1> &atmNumVec, double hcu_dist,
-                 double hh_dist);
+perturb_positions(const xt::xtensor<double, 2> &base_positions,
+                  const xt::xtensor<int, 1> &atmNumVec, double hcu_dist,
+                  double hh_dist);
 std::pair<double, double>
 calculateDistances(const xt::xtensor<double, 2> &positions,
                    const xt::xtensor<int, 1> &atmNumVec);
@@ -35,12 +35,13 @@ void ensure_normalized(E &&vector, bool is_normalized = false,
                        ScalarType tol = static_cast<ScalarType>(1e-6)) {
   if (!is_normalized) {
     auto norm = xt::linalg::norm(vector, 2);
-    if (std::abs(norm - static_cast<ScalarType>(1.0)) >= tol) {
-      vector /= norm;
-    } else {
+    if (norm == 0.0) {
       throw std::runtime_error(
           "Cannot normalize a vector whose norm is smaller than tol");
     }
+    if (std::abs(norm - static_cast<ScalarType>(1.0)) >= tol) {
+      vector /= norm;
+    }
   }
 }