Input 14-fullerene_unpacked.03-td-packed.inp
Commits >
Commit 23d5ddb085c569d9609ce2385772116d59d2e94d >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128290e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 1.989519660128281e-12 | PASS |
| Energy [step 20] | -3.184094654954728e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -3.524291969370097e-12 | PASS |
| Multipoles [step 0] | -1.207224883912686e-03 | -1.211520628226222e-03 | 9.480000000000001e-06 | 4.295744313536016e-06 | PASS |
| Multipoles [step 20] | -2.020306660798319e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 2.600742186054106e-07 | PASS |