Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128304e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 5.684341886080801e-13 | PASS |
| Energy [step 20] | -3.184094654954733e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -4.035882739117369e-12 | PASS |
| Multipoles [step 0] | -1.207302816143591e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.217812082631328e-06 | PASS |
| Multipoles [step 20] | -2.020306694509484e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.263630536347705e-07 | PASS |