Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128281e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.899014361901209e-12 | PASS |
| Energy [step 20] | -3.184094654954737e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.376943252282217e-12 | PASS |
| Multipoles [step 0] | -1.207254961763757e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.265666462465118e-06 | PASS |
| Multipoles [step 20] | -2.020306673611779e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.472607585346509e-07 | PASS |