Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run intel_mpi_omp_autotools: [intel2022a-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] | -3.184094654954685e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 8.526512829121202e-13 | PASS |
| Multipoles [step 0] | -1.207542742388490e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.977885837732004e-06 | PASS |
| Multipoles [step 20] | -2.020306799199626e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.216729117459181e-07 | PASS |