Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.012701199622825e-12 | PASS |
| Energy [step 20] | -3.184094654954712e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.875832822406664e-12 | PASS |
| Multipoles [step 0] | -1.207213604563023e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.307023663198623e-06 | PASS |
| Multipoles [step 20] | -2.020306656026285e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.648462533727525e-07 | PASS |