message: Fix an off by one error for molecular orbital calculations
  This fixes issue thanks for the bug report.
diff: @@ -61,12 +61,11 @@ double GaussianSetTools::calculateMolecularOrbital(const Vector3& position,
  const MatrixX& matrix = m_basis->moMatrix();
  int matrixSize(static_cast<int>(matrix.rows()));
  - int indexMO(mo - 1);
  // Now calculate the value of the density at this point in space
  double result(0.0);
  for (int i = 0; i < matrixSize; ++i)
  - result += matrix(i, indexMO) * values[i];
  + result += matrix(i, mo) * values[i];
  return result;
  }
  