Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.042952410766964e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 4.440892098500626e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 15] | -1.042951645116269e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.151434834260726e-14 | PASS |
| Energy [step 20] | -1.042951647298849e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.237055564881302e-14 | PASS |
| Dipole [step 1] | 3.885780586188048e-16 | 1.780638116610150e-16 | 6.520000000000000e-15 | 2.105142469577898e-16 | PASS |
| Dipole [step 5] | -7.295369687089857e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.543831894603500e-13 | PASS |
| Dipole [step 10] | -1.339262978999547e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.844835892001356e-13 | PASS |
| Dipole [step 15] | -1.833828239415429e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.602807272633072e-13 | PASS |
| Dipole [step 20] | -2.215299445825473e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.549072064539359e-13 | PASS |