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enable all tests
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Mikael Alexander Kovtun committed Nov 28, 2023
1 parent 0a3de39 commit d587a06
Showing 1 changed file with 0 additions and 4 deletions.
4 changes: 0 additions & 4 deletions tests/xc_integrator.cxx
Original file line number Diff line number Diff line change
Expand Up @@ -330,7 +330,6 @@ TEST_CASE( "XC Integrator", "[xc-integrator]" ) {
auto svwn5 = ExchCXX::Functional::SVWN5;
auto pbe0 = ExchCXX::Functional::PBE0;
auto blyp = ExchCXX::Functional::BLYP;
/*
// LDA Test
SECTION( "Benzene / SVWN5 / cc-pVDZ" ) {
auto func = make_functional(svwn5, unpol);
Expand Down Expand Up @@ -374,14 +373,12 @@ TEST_CASE( "XC Integrator", "[xc-integrator]" ) {
test_integrator(GAUXC_REF_DATA_PATH "/cytosine_r2scanl_cc-pvdz_ufg_ssf_robust.hdf5",
func, PruningScheme::Robust );
}
*/
//UKS LDA Test
SECTION( "Li / SVWN5 / sto-3g" ) {
auto func = make_functional(svwn5, pol);
test_integrator(GAUXC_REF_DATA_PATH "/li_svwn5_sto3g_uks.bin",
func, PruningScheme::Unpruned );
}
/*
//UKS GGA Test
SECTION( "Li / BLYP / sto-3g" ) {
auto func = make_functional(blyp, pol);
Expand Down Expand Up @@ -422,5 +419,4 @@ TEST_CASE( "XC Integrator", "[xc-integrator]" ) {
test_integrator(GAUXC_REF_DATA_PATH "/benzene_631gd_pbe0_ufg.hdf5",
func, PruningScheme::Unpruned );
}
*/
}

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