Match Hartree energy (numerical)
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 05-hartree_3d_fft.05-3d_2d_periodic.inp
Value | Reference | Precision | Status |
3.871004614452609e-01 | 3.871004614453000e-01 | 1.940000000000000e-12 | PASS |
Command: GREPFIELD(hartree_results, 'Hartree Energy (numerical) =', 5)