Skip to content

Commit

Permalink
Removed the fourier_pseudo test.
Browse files Browse the repository at this point in the history
  • Loading branch information
xavierandrade committed Dec 14, 2024
1 parent 72f4ee7 commit 5c0eb71
Showing 1 changed file with 0 additions and 18 deletions.
18 changes: 0 additions & 18 deletions tests/neon.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -55,23 +55,5 @@ int main(int argc, char ** argv){
energy_match &= interface::util.match(interface::results_ground_state.energy_nvxc() , 0.000000000000, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_ion() , 0.000000000000, 2.0e-5);

//FOURIER SPACE PSEUDO
//inq electrons fourier_pseudo
interface::electrons.fourier_pseudo();

//inq run ground_state
interface::run.ground_state();

energy_match &= interface::util.match(interface::results_ground_state.energy_total() , -61.861056649453, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_kinetic() , 35.765555684056, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_eigenvalues(), -61.861056649453, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_external() , -79.509918897873, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_non_local() , -18.116693435635, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_hartree() , 0.000000000000, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_xc() , 0.000000000000, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_nvxc() , 0.000000000000, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_nvxc() , 0.000000000000, 2.0e-5);
energy_match &= interface::util.match(interface::results_ground_state.energy_ion() , 0.000000000000, 2.0e-5);

return energy_match.fail();
}

0 comments on commit 5c0eb71

Please sign in to comment.