Input 15-crank_nicolson.02-kick.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_mpi_debug_autotools: [foss2023a-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] | -1.042952410766964e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 4.440892098500626e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 15] | -1.042951645116269e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.506706202140776e-14 | PASS |
| Energy [step 20] | -1.042951647298849e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.414691248821327e-14 | PASS |
| Dipole [step 1] | 4.111294638065033e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | 3.933230826404018e-15 | PASS |
| Dipole [step 5] | -7.295369687089839e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.561595462997502e-13 | PASS |
| Dipole [step 10] | -1.339262978999545e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.871481244592360e-13 | PASS |
| Dipole [step 15] | -1.833828239415426e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.629452625224076e-13 | PASS |
| Dipole [step 20] | -2.215299445825472e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.557953848736361e-13 | PASS |