Match Hartree energy (numerical)
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 10-hartree_pfft.05-3d_2d_periodic.inp
Value | Reference | Precision | Status |
3.871004614452602e-01 | 3.871004614453000e-01 | 1.940000000000000e-12 | PASS |
Command: GREPFIELD(hartree_results, 'Hartree Energy (numerical) =', 5)