Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128294e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.591615728102624e-12 | PASS |
| Energy [step 20] | -3.184094654954740e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.718003765447065e-12 | PASS |
| Multipoles [step 0] | -1.207111806681774e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.408821544448155e-06 | PASS |
| Multipoles [step 20] | -2.020306610965975e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.099065626344100e-07 | PASS |