Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506792e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.040745483159456e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 10] | -1.040743417507013e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 15] | -1.040742113639586e+01 | -1.040742113639585e+01 | 1.040000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Dipole [step 1] | 1.927346953908837e-15 | 1.494990959640600e-16 | 6.600000000000000e-15 | 1.777847857944777e-15 | PASS |
| Dipole [step 5] | -7.295426719525274e-01 | -7.295426719525300e-01 | 3.650000000000000e-14 | 2.553512956637860e-15 | PASS |
| Dipole [step 10] | -1.337803863058588e+00 | -1.337803863058586e+00 | 1.340000000000000e-14 | -2.220446049250313e-15 | PASS |
| Dipole [step 15] | -1.828601499014707e+00 | -1.828601499014712e+00 | 1.830000000000000e-14 | 5.329070518200751e-15 | PASS |
| Dipole [step 20] | -2.205209055720840e+00 | -2.205209055720848e+00 | 2.210000000000000e-14 | 8.437694987151190e-15 | PASS |