Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.103206497849897e-12 | PASS |
| Energy [step 20] | -3.184094654954761e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.764366844436154e-12 | PASS |
| Multipoles [step 0] | -1.206928057519915e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.592570706306526e-06 | PASS |
| Multipoles [step 20] | -2.020306530664620e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.902079175333029e-07 | PASS |