Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.557953848736361e-12 | PASS |
| Energy [step 20] | -3.184094654954735e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.149569576838985e-12 | PASS |
| Multipoles [step 0] | -1.207102916217229e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.417712008993263e-06 | PASS |
| Multipoles [step 20] | -2.020306607259417e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.136131208059112e-07 | PASS |