Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128273e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.694822225952521e-12 | PASS |
| Energy [step 20] | -3.184094654954763e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.991740519879386e-12 | PASS |
| Multipoles [step 0] | -1.206865365177431e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.655263048790543e-06 | PASS |
| Multipoles [step 20] | -2.020306503451628e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.174209098373183e-07 | PASS |