Input 06-caetrs.02-kick.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506792e+01 -1.056293727506791e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 5] -1.040745483159454e+01 -1.040745483159455e+01 1.040000000000000e-13 5.329070518200751e-15 PASS
Energy [step 10] -1.040743417507013e+01 -1.040743417507012e+01 1.040000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 15] -1.040742113639586e+01 -1.040742113639586e+01 1.040000000000000e-13 1.776356839400250e-15 PASS
Energy [step 20] -1.040741451973633e+01 -1.040741451973633e+01 1.040000000000000e-13 -1.776356839400250e-15 PASS
Dipole [step 1] 6.124895241595846e-16 1.780638116610150e-16 6.600000000000000e-15 4.344257124985696e-16 PASS
Dipole [step 5] -7.295426719525294e-01 -7.295426719525250e-01 3.650000000000000e-14 -4.440892098500626e-15 PASS
Dipole [step 10] -1.337803863058589e+00 -1.337803863058600e+00 1.970000000000000e-14 1.132427485117660e-14 PASS
Dipole [step 15] -1.828601499014709e+00 -1.828601499014715e+00 1.830000000000000e-14 5.551115123125783e-15 PASS
Dipole [step 20] -2.205209055720836e+00 -2.205209055720854e+00 2.210000000000000e-14 1.776356839400250e-14 PASS
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