Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
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] | -1.060637205318231e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
Multipoles [step 0] | 1.001070320388875e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 4.130868315867319e-16 | PASS |
Multipoles [step 20] | -1.265536606512525e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 1.360023205165817e-15 | PASS |
Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
Forces [step 20] | 7.966960326023464e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 2.664535259100376e-15 | PASS |