Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128273e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.694822225952521e-12 | PASS |
| Energy [step 20] | -3.184094654954769e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -7.617018127348274e-12 | PASS |
| Multipoles [step 0] | -1.206899184283988e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.621443942233678e-06 | PASS |
| Multipoles [step 20] | -2.020306518112114e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.027604236789273e-07 | PASS |