Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 3.808509063674137e-12 | PASS |
| Energy [step 20] | -3.184094654954790e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -9.720224625198171e-12 | PASS |
| Multipoles [step 0] | -1.206863558613408e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.657069612813919e-06 | PASS |
| Multipoles [step 20] | -2.020306502849667e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.180228714290024e-07 | PASS |