Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128273e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.694822225952521e-12 | PASS |
| Energy [step 20] | -3.184094654954791e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.833911462919787e-12 | PASS |
| Multipoles [step 0] | -1.206821276073439e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.699352152783215e-06 | PASS |
| Multipoles [step 20] | -2.020306484206131e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.366664070332149e-07 | PASS |