Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.042952410766966e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 10] | -1.042951819589649e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 15] | -1.042951645116269e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.151434834260726e-14 | PASS |
| Energy [step 20] | -1.042951647298848e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.592326932761353e-14 | PASS |
| Dipole [step 1] | -8.881784197001252e-16 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.066242231361140e-15 | PASS |
| Dipole [step 5] | -7.295369687089848e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.552713678800501e-13 | PASS |
| Dipole [step 10] | -1.339262978999551e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.804867863114850e-13 | PASS |
| Dipole [step 15] | -1.833828239415428e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.607248164731573e-13 | PASS |
| Dipole [step 20] | -2.215299445825473e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.553512956637860e-13 | PASS |