Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.875832822406664e-12 | PASS |
| Energy [step 20] | -3.184094654954785e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.208633855450898e-12 | PASS |
| Multipoles [step 0] | -1.206768566882108e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.752061344114262e-06 | PASS |
| Multipoles [step 20] | -2.020306461724235e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.591483029336985e-07 | PASS |