Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128296e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.421085471520200e-12 | PASS |
| Energy [step 20] | -3.184094654954678e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | 1.534772309241816e-12 | PASS |
| Multipoles [step 0] | -1.207625528450398e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 3.895099775823524e-06 | PASS |
| Multipoles [step 20] | -2.020306834911076e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 8.596146150452455e-08 | PASS |