Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-14 | PASS |
Energy [step 20] | -1.060637205318230e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
Multipoles [step 0] | 4.267685692143329e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 4.085252582996645e-15 | PASS |
Multipoles [step 20] | -1.265536606512505e-01 | -1.265536606512522e-01 | 4.000000000000000e-15 | 1.748601263784622e-15 | PASS |
Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
Forces [step 20] | 7.966960326023287e-02 | 7.966960326023464e-02 | 7.820000000000000e-15 | -1.776356839400250e-15 | PASS |