Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128328e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | -1.762145984685048e-12 | PASS |
| Energy [step 20] | -3.184094654954638e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 5.513811629498377e-12 | PASS |
| Multipoles [step 0] | -1.206918857527342e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.601770698879843e-06 | PASS |
| Multipoles [step 20] | -2.020306508151733e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.127208050874742e-07 | PASS |