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Commit 4b1bd0ca authored by mkirsz's avatar mkirsz
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leaks hunting

parent 5560293f
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1 merge request!15added bitmap for checking is calc initalised for atoms, fixed return to...
Pipeline #49581 passed
...@@ -36,5 +36,6 @@ TEST_CASE( "Testing Factory: Cutoffs", "[factory_cutoffs]" ) { ...@@ -36,5 +36,6 @@ TEST_CASE( "Testing Factory: Cutoffs", "[factory_cutoffs]" ) {
REQUIRE( c2b->calc_prime(rcut2b) < std::numeric_limits<double>::min() ); REQUIRE( c2b->calc_prime(rcut2b) < std::numeric_limits<double>::min() );
REQUIRE( std::abs(c2b->get_rcut()-rcut2b)<std::numeric_limits<double>::min() ); REQUIRE( std::abs(c2b->get_rcut()-rcut2b)<std::numeric_limits<double>::min() );
REQUIRE( std::abs(c2b->get_rcut_sq()-rcut2bsq)<std::numeric_limits<double>::min() ); REQUIRE( std::abs(c2b->get_rcut_sq()-rcut2bsq)<std::numeric_limits<double>::min() );
if (c2b) delete c2b;
}; };
} }
...@@ -51,5 +51,6 @@ TEST_CASE( "Testing Factory: Functions", "[factory_functions]" ) { ...@@ -51,5 +51,6 @@ TEST_CASE( "Testing Factory: Functions", "[factory_functions]" ) {
//REQUIRE( c2b->calc_prime(rcut2b) < std::numeric_limits<double>::min() ); //REQUIRE( c2b->calc_prime(rcut2b) < std::numeric_limits<double>::min() );
//REQUIRE( std::abs(c2b->get_rcut()-rcut2b)<std::numeric_limits<double>::min() ); //REQUIRE( std::abs(c2b->get_rcut()-rcut2b)<std::numeric_limits<double>::min() );
//REQUIRE( std::abs(c2b->get_rcut_sq()-rcut2bsq)<std::numeric_limits<double>::min() ); //REQUIRE( std::abs(c2b->get_rcut_sq()-rcut2bsq)<std::numeric_limits<double>::min() );
if (fb) delete fb;
} }
} }
...@@ -65,8 +65,8 @@ TEST_CASE( "Testing Kern_Base", "[kernels]" ) { ...@@ -65,8 +65,8 @@ TEST_CASE( "Testing Kern_Base", "[kernels]" ) {
for(size_t i=0;i<2;++i) for(size_t i=0;i<2;++i)
for(size_t j=0;j<3;++j) { for(size_t j=0;j<3;++j) {
REQUIRE_THAT(matbas(i,j), REQUIRE_THAT(matbas(j,i),
Catch::Matchers::WithinAbs(test_basis(i,j),1e-12)); Catch::Matchers::WithinAbs(test_basis(j,i),1e-12));
} }
} }
TEST_CASE( "Testing Kern_Linear 1", "[kernels]" ) { TEST_CASE( "Testing Kern_Linear 1", "[kernels]" ) {
......
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