Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 65c9d1acfcf72851dda73eaed77edd797333194c >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128341e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -3.126388037344441e-12 | PASS |
| Energy [step 20] | -3.184094654954577e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.159605744760484e-11 | PASS |
| Multipoles [step 0] | -1.208711527166215e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 2.809101060007252e-06 | PASS |
| Multipoles [step 20] | -2.020307297708610e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -3.768360721245756e-07 | PASS |