Input 15-crank_nicolson.02-kick.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 5] | -1.042952410766973e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | -3.907985046680551e-14 | PASS |
| Energy [step 10] | -1.042951819589654e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | -3.019806626980426e-14 | PASS |
| Energy [step 15] | -1.042951645116279e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | -4.796163466380676e-14 | PASS |
| Energy [step 20] | -1.042951647298867e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -8.881784197001252e-14 | PASS |
| Dipole [step 1] | -6.631243405948172e-17 | 1.780638116610150e-16 | 6.520000000000000e-15 | -2.443762457204967e-16 | PASS |
| Dipole [step 5] | -7.295369687096925e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.524958103184872e-13 | PASS |
| Dipole [step 10] | -1.339262979001111e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.787104294720848e-13 | PASS |
| Dipole [step 15] | -1.833828239416949e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.596145934485321e-13 | PASS |
| Dipole [step 20] | -2.215299445825976e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.478017790963349e-13 | PASS |