Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894068e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | -5.773159728050814e-15 | PASS |
| Energy [step 5] | -5.157327347418622e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | -1.110223024625157e-14 | PASS |
| Energy [step 10] | -5.157327347416970e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 8.881784197001252e-16 | PASS |
| Energy [step 15] | -5.157327347416659e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 4.884981308350689e-15 | PASS |
| Energy [step 20] | -5.157327347417103e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | -1.243449787580175e-14 | PASS |
| Dipole [step 1] | -9.213724143993136e-16 | -7.379220068245151e-16 | 5.560000000000000e-15 | -1.834504075747985e-16 | PASS |
| Dipole [step 5] | -1.928247888208906e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.415534356397075e-15 | PASS |
| Dipole [step 10] | -3.545495747886699e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.553512956637860e-15 | PASS |
| Dipole [step 15] | -4.859689858458461e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | -2.220446049250313e-16 | PASS |
| Dipole [step 20] | -6.087120870676955e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -6.328271240363392e-15 | PASS |