Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
Energy [step 20] | -1.059306110576122e+01 | -1.059306110576122e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
Multipoles [step 0] | -2.272931842739468e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -2.455364951886151e-15 | PASS |
Multipoles [step 20] | -1.269354346362610e-01 | -1.269354346362595e-01 | 3.850000000000000e-15 | -1.526556658859590e-15 | PASS |
Forces [step 0] | 8.537673799433421e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 6.661338147750939e-16 | PASS |
Forces [step 20] | 7.713299237647986e-02 | 7.713299237647830e-02 | 9.040000000000000e-15 | 1.554312234475219e-15 | PASS |