Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893668e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 3.641531520770513e-14 | PASS |
| Energy [step 5] | -5.157327347418249e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 2.176037128265307e-14 | PASS |
| Energy [step 10] | -5.157327347416988e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -8.881784197001252e-16 | PASS |
| Energy [step 15] | -5.157327347416446e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 1.243449787580175e-14 | PASS |
| Energy [step 20] | -5.157327347416730e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 2.486899575160351e-14 | PASS |
| Dipole [step 1] | 2.888045698586344e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 3.625967705410859e-15 | PASS |
| Dipole [step 5] | -1.928247888208872e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 1.998401444325282e-15 | PASS |
| Dipole [step 10] | -3.545495747886633e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 4.052314039881821e-15 | PASS |
| Dipole [step 15] | -4.859689858458416e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | 3.386180225106727e-15 | PASS |
| Dipole [step 20] | -6.087120870676863e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 2.886579864025407e-15 | PASS |