From 5c0eb71701c6104f457e53598ea3ad9d504ac99e Mon Sep 17 00:00:00 2001 From: Xavier Andrade Date: Sat, 14 Dec 2024 12:46:03 -0800 Subject: [PATCH] Removed the fourier_pseudo test. --- tests/neon.cpp | 18 ------------------ 1 file changed, 18 deletions(-) diff --git a/tests/neon.cpp b/tests/neon.cpp index 6fc707c0..8036f3cd 100644 --- a/tests/neon.cpp +++ b/tests/neon.cpp @@ -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(); }