Merge pull request #2580 from Hyeondeok-Shin/develop

Enable to print abs(r^2-dr^2) and epsilon for the hybrid_rep wavefunction…
QMCPACK · Jul 10, 2020 · 72c4844 · 72c4844
2 parents 63d0e14 + d53bc4b
commit 72c4844
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/src/QMCWaveFunctions/tests/test_hybridrep.cpp b/src/QMCWaveFunctions/tests/test_hybridrep.cpp
@@ -243,6 +243,8 @@ TEST_CASE("Hybridrep SPO from HDF diamond_2x1x1", "[wavefunction]")
   elec_.getDistTable(0).get_first_neighbor(0, r, dr, false);
   std::cout << std::setprecision(14) << "check r^2 against dr^2. "
             << "r = " << r << " dr = " << dr << std::endl;
+  std::cout << "abs(r^2 - dr^2) = " << std::abs(r * r - dot(dr, dr))
+            << " epsilon = " << std::numeric_limits<double>::epsilon() << std::endl;
   REQUIRE(std::abs(r * r - dot(dr, dr)) < std::numeric_limits<double>::epsilon());
 
   // for vgl