Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128282e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.785327524179593e-12 | PASS |
| Energy [step 20] | -3.184094654954754e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.082245818106458e-12 | PASS |
| Multipoles [step 0] | -1.207023880221050e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.496748005171575e-06 | PASS |
| Multipoles [step 20] | -2.020306572427573e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.484449653257116e-07 | PASS |