Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128291e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.932676241267473e-12 | PASS |
| Energy [step 20] | -3.184094654954681e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 1.250555214937776e-12 | PASS |
| Multipoles [step 0] | -1.207472655944480e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.047972281741525e-06 | PASS |
| Multipoles [step 20] | -2.020306768668841e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 1.522036967571694e-07 | PASS |