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dmejiar committed Nov 20, 2023
1 parent 74be454 commit 326532a
Showing 1 changed file with 8 additions and 8 deletions.
16 changes: 8 additions & 8 deletions tests/xc_integrator.cxx
Original file line number Diff line number Diff line change
Expand Up @@ -303,14 +303,14 @@ TEST_CASE( "XC Integrator", "[xc-integrator]" ) {
}

// MGGA Test (TAU + LAPL)
//SECTION( "Cytosine / R2SCANL / cc-pVDZ") {
// functional_type func({
// {1.0, ExchCXX::XCKernel(ExchCXX::libxc_name_string("MGGA_X_R2SCANL"), unpol)},
// {1.0, ExchCXX::XCKernel(ExchCXX::libxc_name_string("MGGA_C_R2SCANL"), unpol)},
// });
// test_integrator(GAUXC_REF_DATA_PATH "/cytosine_r2scanl_cc-pvdz_ufg_ssf_robust.hdf5",
// func, PruningScheme::Robust );
//}
SECTION( "Cytosine / R2SCANL / cc-pVDZ") {
functional_type func({
{1.0, ExchCXX::XCKernel(ExchCXX::libxc_name_string("MGGA_X_R2SCANL"), unpol)},
{1.0, ExchCXX::XCKernel(ExchCXX::libxc_name_string("MGGA_C_R2SCANL"), unpol)},
});
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" ) {
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