Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128272e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 3.808509063674137e-12 | PASS |
| Energy [step 20] | -3.184094654954779e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -8.583356247982010e-12 | PASS |
| Multipoles [step 0] | -1.206945302064333e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.575326161889099e-06 | PASS |
| Multipoles [step 20] | -2.020306538199772e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.826727654754336e-07 | PASS |