Input 06-caetrs.02-kick.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506791e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 5] | -1.040745483159454e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 10] | -1.040743417507012e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 15] | -1.040742113639585e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.040741451973632e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Dipole [step 1] | -2.664535259100376e-15 | 1.780638116610150e-16 | 6.600000000000000e-15 | -2.842599070761391e-15 | PASS |
| Dipole [step 5] | -7.295426719525180e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | 6.994405055138486e-15 | PASS |
| Dipole [step 10] | -1.337803863058617e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | -1.665334536937735e-14 | PASS |
| Dipole [step 15] | -1.828601499014724e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | -8.659739592076221e-15 | PASS |
| Dipole [step 20] | -2.205209055720871e+00 | -2.205209055720854e+00 | 2.690000000000000e-14 | -1.643130076445232e-14 | PASS |