Input 06-caetrs.02-kick.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506792e+01 -1.056293727506791e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 5] -1.040745483159455e+01 -1.040745483159455e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 10] -1.040743417507013e+01 -1.040743417507012e+01 1.040000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 15] -1.040742113639586e+01 -1.040742113639586e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 20] -1.040741451973634e+01 -1.040741451973633e+01 1.040000000000000e-13 -8.881784197001252e-15 PASS
Dipole [step 1] 1.966146429693838e-15 1.780638116610150e-16 6.600000000000000e-15 1.788082618032823e-15 PASS
Dipole [step 5] -7.295426719525274e-01 -7.295426719525250e-01 3.650000000000000e-14 -2.442490654175344e-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 6.217248937900877e-15 PASS
Dipole [step 20] -2.205209055720847e+00 -2.205209055720854e+00 2.210000000000000e-14 7.549516567451064e-15 PASS
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