Input 15-crank_nicolson.02-kick.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 5] | -1.042952410766965e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 3.730349362740526e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 15] | -1.042951645116270e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 4.440892098500626e-14 | PASS |
| Energy [step 20] | -1.042951647298849e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 8.881784197001252e-14 | PASS |
| Dipole [step 1] | 5.575401251789458e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | 5.397337440128443e-15 | PASS |
| Dipole [step 5] | -7.295369687089817e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.583799923490005e-13 | PASS |
| Dipole [step 10] | -1.339262978999544e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.880363028789361e-13 | PASS |
| Dipole [step 15] | -1.833828239415426e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.627232179174825e-13 | PASS |
| Dipole [step 20] | -2.215299445825474e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.540190280342358e-13 | PASS |