Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -8.881784197001252e-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 | 2.309263891220326e-14 | PASS |
| Energy [step 15] | -1.042951645116269e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.151434834260726e-14 | PASS |
| Energy [step 20] | -1.042951647298849e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.414691248821327e-14 | PASS |
| Dipole [step 1] | 1.110223024625157e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | 9.321592129641416e-16 | PASS |
| Dipole [step 5] | -7.295369687089817e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.583799923490005e-13 | PASS |
| Dipole [step 10] | -1.339262978999550e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.813749647311852e-13 | PASS |
| Dipole [step 15] | -1.833828239415427e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.620570841027074e-13 | PASS |
| Dipole [step 20] | -2.215299445825472e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.557953848736361e-13 | PASS |