Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799432888e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.798561299892754e-14 | PASS |
| Forces [step 20] | 7.964959635257074e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.532107773982716e-14 | PASS |
| Energy [step 1] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637261154880e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 1] | 1.001070320388875e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 4.130868315867319e-16 | PASS |
| Multipoles [step 20] | -1.265304528942223e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -9.658940314238862e-15 | PASS |