Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128355e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | -4.490630090003833e-12 | PASS |
| Energy [step 20] | -3.184094654954687e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | 6.252776074688882e-13 | PASS |
| Multipoles [step 0] | -1.207235956332250e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.284671893971465e-06 | PASS |
| Multipoles [step 20] | -2.020306645528599e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.753439387603862e-07 | PASS |