Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128292e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.762145984685048e-12 | PASS |
| Energy [step 20] | -3.184094654954712e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -1.875832822406664e-12 | PASS |
| Multipoles [step 0] | -1.207294014489338e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.226613736883983e-06 | PASS |
| Multipoles [step 20] | -2.020306690810727e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.300618113793007e-07 | PASS |