Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.042952410766965e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 3.730349362740526e-14 | PASS |
| Energy [step 10] | -1.042951819589649e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 2.309263891220326e-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] | -9.263423361716150e-16 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.104406147832630e-15 | PASS |
| Dipole [step 5] | -7.295369687089883e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.517186542012496e-13 | PASS |
| Dipole [step 10] | -1.339262978999549e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.827072323607354e-13 | PASS |
| Dipole [step 15] | -1.833828239415427e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.613909502879324e-13 | PASS |
| Dipole [step 20] | -2.215299445825475e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.531308496145357e-13 | PASS |