Test: save precision results to file when building unit tests (#3829)

source/module_base/test/math_sphbes_test.cpp

@@ -1,5 +1,6 @@
 #include "../math_sphbes.h"
 
+#include <cmath>
 #include <fstream>
 #include <iostream>
 
@@ -257,6 +258,9 @@ TEST_F(Sphbes, SphericalBesselPrecisionGrid)
     const double dr = rcut / nr;
     double* r = new double[nr + 10];
     double* Y = new double[nr * (l_hi - l_lo + 1) + 10];
+    // save errs to binary file
+    std::ofstream file_o("data/sphj_old_out.bin", std::ios::binary);
+    std::ofstream file_n("data/sphj_new_out.bin", std::ios::binary);
 
     // case 0: x = 0, l = 0
     EXPECT_NEAR(ModuleBase::Sphbes::sphbesj(0, 0), 1.0, 1e-12);
@@ -288,6 +292,8 @@ TEST_F(Sphbes, SphericalBesselPrecisionGrid)
         for (int i = 0; i < nr; ++i)
         {
             EXPECT_NEAR(ModuleBase::Sphbes::sphbesj(l, r[i] * q), Y[l * nr + i], 1e-12);
+            double tmp = std::abs(Y[l * nr + i] - ModuleBase::Sphbes::sphbesj(l, r[i] * q));
+            file_n.write(reinterpret_cast<char*>(&tmp), sizeof(double));
         }
     }
     // test for old Bessel
@@ -296,16 +302,18 @@ TEST_F(Sphbes, SphericalBesselPrecisionGrid)
     for (int l = l_lo; l <= l_hi; ++l)
     {
         ModuleBase::Sphbes::Spherical_Bessel(nr, r, q, l, jl_old);
-        double errs = 0.0;
         for (int i = 0; i < nr; ++i)
         {
-            errs += MAX(jl_old[i] - Y[l * nr + i], Y[l * nr + i] - jl_old[i]);
+            double tmp = std::abs(jl_old[i] - Y[l * nr + i]);
+            file_o.write(reinterpret_cast<char*>(&tmp), sizeof(double));
         }
-        // std::cout << " l = " << l << ", errors: " << std::scientific << errs / nr << std::endl;
     }
+
     delete[] r;
     delete[] Y;
     delete[] jl_old;
+    file_o.close();
+    file_n.close();
 }
 
 TEST_F(Sphbes, SphericalBesselPrecisionNearZero)