Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
Energy [step 20] | -1.059306110576123e+01 | -1.059306110576122e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
Multipoles [step 0] | 1.783070700366995e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.600637591220311e-15 | PASS |
Multipoles [step 20] | -1.269354346362579e-01 | -1.269354346362595e-01 | 3.850000000000000e-15 | 1.637578961322106e-15 | PASS |
Forces [step 0] | 8.537673799433421e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 6.661338147750939e-16 | PASS |
Forces [step 20] | 7.713299237647586e-02 | 7.713299237647830e-02 | 9.040000000000000e-15 | -2.442490654175344e-15 | PASS |