Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 584f61e8603689505e758f366f49c21c2e481def > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 20] -1.060637205318230e+01 -1.060637205318229e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 1.824339507586203e-15 5.879834888021430e-16 4.510000000000000e-15 1.236356018784060e-15 PASS
Multipoles [step 20] -1.265536606512545e-01 -1.265536606512456e-01 1.130000000000000e-14 -8.854028621385623e-15 PASS
Forces [step 0] 8.537673799432843e-02 8.537673799434686e-02 2.170000000000000e-14 -1.842970220877760e-14 PASS
Forces [step 20] 7.966960326022887e-02 7.966960326024397e-02 1.810000000000000e-14 -1.509903313490213e-14 PASS
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