Input 01-propagators.03-etrs_taylor.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_mpi_debug_autotools: [foss2023a-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 -8.881784197001252e-15 PASS
Multipoles [step 0] -3.735878793820202e-17 1.824331091466839e-16 4.490000000000000e-15 -2.197918970848859e-16 PASS
Multipoles [step 20] -1.265536606512528e-01 -1.265536606512522e-01 4.000000000000000e-15 -5.551115123125783e-16 PASS
Forces [step 0] 8.537673799433465e-02 8.537673799433354e-02 1.250000000000000e-14 1.110223024625157e-15 PASS
Forces [step 20] 7.966960326023287e-02 7.966960326023464e-02 7.820000000000000e-15 -1.776356839400250e-15 PASS
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