Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | 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 | 2.842170943040401e-14 | PASS |
Energy [step 15] | -1.042951645116268e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.861977570020827e-14 | PASS |
Energy [step 20] | -1.042951647298848e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 1.012523398458143e-13 | PASS |
Dipole [step 1] | -5.551115123125783e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -5.729178934786798e-15 | PASS |
Dipole [step 5] | -7.295369687089869e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.531619441332623e-13 | PASS |
Dipole [step 10] | -1.339262978999556e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.753797603982093e-13 | PASS |
Dipole [step 15] | -1.833828239415433e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.556177905598815e-13 | PASS |
Dipole [step 20] | -2.215299445825478e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.504663143554353e-13 | PASS |