Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.103206497849897e-12 | PASS |
| Energy [step 20] | -3.184094654954753e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.025402399245650e-12 | PASS |
| Multipoles [step 0] | -1.207050732209072e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.469896017149583e-06 | PASS |
| Multipoles [step 20] | -2.020306584361450e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.365110874398169e-07 | PASS |