Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766762e+01 | -1.060686608766761e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
Energy [step 20] | -1.060638479805076e+01 | -1.060638479805075e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
Multipoles [step 0] | -2.071004988595665e-15 | 0.000000000000000e+00 | 1.000000000000000e-14 | -2.071004988595665e-15 | PASS |
Multipoles [step 20] | -1.269180738429638e-01 | -1.269180738429604e-01 | 1.000000000000000e-14 | -3.386180225106727e-15 | PASS |
Forces [step 0] | 8.537673799432843e-02 | 8.537673799433310e-02 | 1.000000000000000e-14 | -4.662936703425657e-15 | PASS |
Forces [step 20] | 7.982464236113129e-02 | 7.982464236112929e-02 | 1.000000000000000e-14 | 1.998401444325282e-15 | PASS |