Fix formatting

Signed-off-by: Geoff Hutchison <[email protected]>
OpenChemistry · Jul 26, 2023 · d6d488b · d6d488b
1 parent 49d8293
commit d6d488b
Show file tree

Hide file tree

Showing 2 changed files with 15 additions and 21 deletions.
diff --git a/avogadro/quantumio/gaussianfchk.cpp b/avogadro/quantumio/gaussianfchk.cpp
@@ -11,27 +11,23 @@
 
 #include <iostream>
 
-using std::vector;
-using std::string;
 using std::cout;
 using std::endl;
+using std::string;
+using std::vector;
 
 namespace Avogadro::QuantumIO {
 
 using Core::Atom;
 using Core::BasisSet;
 using Core::GaussianSet;
 using Core::Rhf;
-using Core::Uhf;
 using Core::Rohf;
+using Core::Uhf;
 
-GaussianFchk::GaussianFchk() : m_scftype(Rhf)
-{
-}
+GaussianFchk::GaussianFchk() : m_scftype(Rhf) {}
 
-GaussianFchk::~GaussianFchk()
-{
-}
+GaussianFchk::~GaussianFchk() {}
 
 std::vector<std::string> GaussianFchk::fileExtensions() const
 {
@@ -307,7 +303,7 @@ vector<int> GaussianFchk::readArrayI(std::istream& in, unsigned int n)
       return tmp;
 
     vector<string> list = Core::split(line, ' ');
-    for (auto & i : list) {
+    for (auto& i : list) {
       if (tmp.size() >= n) {
         cout << "Too many variables read in. File may be inconsistent. "
              << tmp.size() << " of " << n << endl;
@@ -342,7 +338,7 @@ vector<double> GaussianFchk::readArrayD(std::istream& in, unsigned int n,
 
     if (width == 0) { // we can split by spaces
       vector<string> list = Core::split(line, ' ');
-      for (auto & i : list) {
+      for (auto& i : list) {
         if (tmp.size() >= n) {
           cout << "Too many variables read in. File may be inconsistent. "
                << tmp.size() << " of " << n << endl;
@@ -399,7 +395,7 @@ bool GaussianFchk::readDensityMatrix(std::istream& in, unsigned int n,
 
     if (width == 0) { // we can split by spaces
       vector<string> list = Core::split(line, ' ');
-      for (auto & k : list) {
+      for (auto& k : list) {
         if (cnt >= n) {
           cout << "Too many variables read in. File may be inconsistent. "
                << cnt << " of " << n << endl;
@@ -475,7 +471,7 @@ bool GaussianFchk::readSpinDensityMatrix(std::istream& in, unsigned int n,
 
     if (width == 0) { // we can split by spaces
       vector<string> list = Core::split(line, ' ');
-      for (auto & k : list) {
+      for (auto& k : list) {
         if (cnt >= n) {
           cout << "Too many variables read in. File may be inconsistent. "
                << cnt << " of " << n << endl;
@@ -570,4 +566,4 @@ void GaussianFchk::outputAll()
     cout << endl << endl;
   }
 }
-}
+} // namespace Avogadro::QuantumIO
diff --git a/avogadro/quantumio/molden.cpp b/avogadro/quantumio/molden.cpp
@@ -11,10 +11,10 @@
 
 #include <iostream>
 
-using std::vector;
-using std::string;
 using std::cout;
 using std::endl;
+using std::string;
+using std::vector;
 
 namespace Avogadro::QuantumIO {
 
@@ -26,9 +26,7 @@ MoldenFile::MoldenFile()
 {
 }
 
-MoldenFile::~MoldenFile()
-{
-}
+MoldenFile::~MoldenFile() {}
 
 std::vector<std::string> MoldenFile::fileExtensions() const
 {
@@ -228,7 +226,7 @@ void MoldenFile::load(GaussianSet* basis)
   if (m_MOcoeffs.size())
     basis->setMolecularOrbitals(m_MOcoeffs);
   if (m_orbitalEnergy.size())
-    basis->setOrbitalEnergy(m_orbitalEnergy);
+    basis->setMolecularOrbitalEnergy(m_orbitalEnergy);
 }
 
 void MoldenFile::outputAll()
@@ -243,4 +241,4 @@ void MoldenFile::outputAll()
     cout << m_MOcoeff << "\t";
   cout << endl;
 }
-}
+} // namespace Avogadro::QuantumIO