add suggensstions by @paulromano

run clang-format on all changed files
Update test results

include/openmc/hdf5_interface.h

@@ -251,7 +251,7 @@ inline void read_dataset(
 
   // Read attribute and set string
   read_string(obj_id, name, n, buffer.data(), indep);
-  str = std::string { buffer.begin(), buffer.end() };
+  str = std::string {buffer.begin(), buffer.end()};
 }
 
 // array version

src/distribution_energy.cpp

@@ -244,16 +244,16 @@ double ContinuousTabular::sample(double E, uint64_t* seed) const
   // Now interpolate between incident energy bins i and i + 1
   if (!histogram_interp && n_energy_out > 1 && k >= n_discrete) {
     // Interpolation for energy E1 and EK
-    int n_energy_out = distribution_[i].e_out.size();
-    int n_discrete = distribution_[i].n_discrete;
+    n_energy_out = distribution_[i].e_out.size();
+    n_discrete = distribution_[i].n_discrete;
     const double E_i_1 = distribution_[i].e_out[n_discrete];
     const double E_i_K = distribution_[i].e_out[n_energy_out - 1];
-  
+
     n_energy_out = distribution_[i + 1].e_out.size();
     n_discrete = distribution_[i + 1].n_discrete;
     const double E_i1_1 = distribution_[i + 1].e_out[n_discrete];
     const double E_i1_K = distribution_[i + 1].e_out[n_energy_out - 1];
-  
+
     const double E_1 = E_i_1 + r * (E_i1_1 - E_i_1);
     const double E_K = E_i_K + r * (E_i1_K - E_i_K);
 

src/photon.cpp

@@ -218,14 +218,9 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   close_group(rgroup);
 
   // Create Compton profile CDF
-  if (n_shell != profile_pdf_.shape(0)) {
-    warning(fmt::format(
-      "The number of subshells is {} but only {} compton profiles are available in .",
-      n_shell, profile_pdf_.shape(0)));
-  }
   auto n_profile = data::compton_profile_pz.size();
   profile_cdf_ = xt::empty<double>({n_shell, n_profile});
-  for (int i = 0; i < std::min(n_shell, profile_pdf_.shape(0)); ++i) {
+  for (int i = 0; i < profile_pdf_.shape(0); ++i) {
     double c = 0.0;
     profile_cdf_(i, 0) = 0.0;
     for (int j = 0; j < n_profile - 1; ++j) {

src/secondary_thermal.cpp

@@ -19,8 +19,8 @@ void get_energy_index(
   f = 0.0;
   if (E >= energies.front()) {
     i = lower_bound_index(energies.begin(), energies.end(), E);
-    if (i+1 < energies.size())
-    f = (E - energies[i]) / (energies[i + 1] - energies[i]);
+    if (i + 1 < energies.size())
+      f = (E - energies[i]) / (energies[i + 1] - energies[i]);
   }
 }
 
@@ -28,7 +28,6 @@ void get_energy_index(
 // CoherentElasticAE implementation
 //==============================================================================
 
-#include <iostream>
 CoherentElasticAE::CoherentElasticAE(const CoherentElasticXS& xs) : xs_ {xs} {}
 
 void CoherentElasticAE::sample(
@@ -42,7 +41,7 @@ void CoherentElasticAE::sample(
   if (E_in < energies.front()) {
     // XS is zero for E < energies[0] -> no scatter
     mu = 1.0;
-    return ;
+    return;
   }
 
   const int i = lower_bound_index(energies.begin(), energies.end(), E_in);
@@ -52,11 +51,11 @@ void CoherentElasticAE::sample(
   const auto& factors = xs_.factors();
   const double prob = prn(seed) * factors[i];
 
-  const int k = std::lower_bound(factors.begin(), factors.begin() + i, prob) - factors.begin();
+  const int k = std::lower_bound(factors.begin(), factors.begin() + i, prob) -
+                factors.begin();
 
   // Characteristic scattering cosine for this Bragg edge (ENDF-102, Eq. 7-2)
   mu = 1.0 - 2.0 * energies[k] / E_in;
-
 }
 
 //==============================================================================

tests/regression_tests/salphabeta/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-8.214162E-01 2.262777E-02
+8.214164E-01 2.262776E-02

tests/regression_tests/triso/results_true.dat

@@ -1,2 +1,2 @@
 k-combined:
-1.653488E+00 2.128233E-02
+1.406055E+00 9.581397E-02