Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 8f70c6ee77762d8b3d61df63beb761c1a94f9b18 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128313e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -2.842170943040401e-13 | PASS |
| Energy [step 20] | -3.184094654954589e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.040234565152787e-11 | PASS |
| Multipoles [step 0] | -1.208503890497689e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.016737728532776e-06 | PASS |
| Multipoles [step 20] | -2.020307211318563e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | -2.904460254526953e-07 | PASS |