Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_debug_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] | -1.059306110576123e+01 | -1.059306110576122e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
Multipoles [step 0] | 4.267685692143329e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 4.085252582996645e-15 | PASS |
Multipoles [step 20] | -1.269354346362571e-01 | -1.269354346362595e-01 | 3.850000000000000e-15 | 2.386979502944087e-15 | PASS |
Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
Forces [step 20] | 7.713299237647719e-02 | 7.713299237647830e-02 | 9.040000000000000e-15 | -1.110223024625157e-15 | PASS |