Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_cmake: [foss2022a-mpi, foss-min-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] | -3.184094654954750e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.741185304941610e-12 | PASS |
| Multipoles [step 0] | -1.206886543720989e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.634084505232778e-06 | PASS |
| Multipoles [step 20] | -2.020306512626410e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.082461275700666e-07 | PASS |