Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128288e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.160049916710705e-12 | PASS |
| Energy [step 20] | -3.184094654954766e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -7.332801033044234e-12 | PASS |
| Multipoles [step 0] | -1.206980316333511e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.540311892710586e-06 | PASS |
| Multipoles [step 20] | -2.020306553508167e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.673643709234398e-07 | PASS |