Profile with gprof; Reverted minor changes

ls1mardyn · Nov 7, 2023 · ac5c7ee · ac5c7ee
1 parent 279c0b3
commit ac5c7ee
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Showing 3 changed files with 10 additions and 8 deletions.
diff --git a/cmake/modules/ALL.cmake b/cmake/modules/ALL.cmake
@@ -1,5 +1,10 @@
 # cmake module for adding ALL
 
+option(ENABLE_GPROF "Use the GNU profiler (gprof)" OFF)
+if(ENABLE_GPROF)
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -pg")
+endif()
+
 option(ENABLE_ALLLBL "Enable ALL load balancing library" OFF)
 if(ENABLE_ALLLBL)
     set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DENABLE_ALLLBL")

diff --git a/src/molecules/Quaternion.cpp b/src/molecules/Quaternion.cpp
@@ -44,7 +44,7 @@ void Quaternion::multiply_left(const Quaternion& q) {
 
 std::array<double, 3> Quaternion::rotate(const std::array<double, 3>& d) const {
 	std::array<double, 3> drot VECTOR3_ZERO;
-	if(VECTOR3_ZERO != d) { // GH#267
+	if(VECTOR3_ZERO != d) {
 		double ww = m_qw*m_qw;
 		double xx = m_qx*m_qx;
 		double yy = m_qy*m_qy;
@@ -67,7 +67,7 @@ std::array<double, 3> Quaternion::rotate(const std::array<double, 3>& d) const {
 
 std::array<double, 3> Quaternion::rotateinv(const std::array<double, 3>& d) const {
 	std::array<double, 3> drot VECTOR3_ZERO;
-	if (VECTOR3_ZERO != d) { // GH#267
+	if (VECTOR3_ZERO != d) {
 		double ww = m_qw*m_qw;
 		double xx = m_qx*m_qx;
 		double yy = m_qy*m_qy;
@@ -98,7 +98,7 @@ std::array<double, 3> Quaternion::rotateinv(const std::array<double, 3>& d) cons
  */
 
 void Quaternion::differentiate(const std::array<double, 3>& w, Quaternion& dqdt) const {
-	if(VECTOR3_ZERO == w) { // GH#267
+	if(VECTOR3_ZERO == w) {
 		dqdt.m_qw = 0; dqdt.m_qx = 0; dqdt.m_qy = 0; dqdt.m_qz = 0;
 		return;
 	}

diff --git a/src/molecules/Quaternion.h b/src/molecules/Quaternion.h
@@ -38,9 +38,7 @@ class Quaternion {
 		scale( 1./ s);
 	}
 	void normalize() {
-		if (!isNormalized()) { // GH#267 Avoid ASM `call sqrt` for identity
-			scaleinv(sqrt(magnitude2()));
-		}
+		scaleinv(sqrt(magnitude2()));
 	}
 	void conjugate() {
 		m_qx = -m_qx;
@@ -89,7 +87,7 @@ class Quaternion {
 	void getRotMatrix(double R[3][3]) const;
 	void getRotinvMatrix(double R[3][3]) const;
 
-	inline bool isNormalized() const {
+	bool isNormalized() const {
 		return fabs(magnitude2() - 1.0) <= 1e-15;
 	}
 	void check() const{
@@ -102,7 +100,6 @@ class Quaternion {
 
 private:
 	double m_qw, m_qx, m_qy, m_qz; // components
-
 };
 
 #endif /*QUATERNION_H_*/