Input 01-propagators.06-aetrs.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766762e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.060637353666412e+01 -1.060637353666412e+01 1.060000000000000e-13 0.000000000000000e+00 PASS
Multipoles [step 0] 2.761706390918412e-15 1.824331091466839e-16 4.490000000000000e-15 2.579273281771728e-15 PASS
Multipoles [step 20] -1.265509663990612e-01 -1.265509663990613e-01 4.000000000000000e-15 1.110223024625157e-16 PASS
Forces [step 0] 8.537673799433332e-02 8.537673799433354e-02 1.250000000000000e-14 -2.220446049250313e-16 PASS
Forces [step 20] 7.966840852244683e-02 7.966840852244794e-02 8.059999999999999e-15 -1.110223024625157e-15 PASS
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