Input 15-crank_nicolson.02-kick.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -5.329070518200751e-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] | 4.440892098500626e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | 4.262828286839611e-15 | PASS |
| Dipole [step 5] | -7.295369687089804e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.596012376760882e-13 | PASS |
| Dipole [step 10] | -1.339262978999546e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.853717676198357e-13 | PASS |
| Dipole [step 15] | -1.833828239415425e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.636113963371827e-13 | PASS |
| Dipole [step 20] | -2.215299445825471e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.575717417130363e-13 | PASS |