Input 06-caetrs.02-kick.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506792e+01 -1.056293727506791e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 5] -1.040745483159454e+01 -1.040745483159455e+01 1.040000000000000e-13 7.105427357601002e-15 PASS
Energy [step 10] -1.040743417507014e+01 -1.040743417507012e+01 1.040000000000000e-13 -1.776356839400250e-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 -3.552713678800501e-15 PASS
Dipole [step 1] -6.477193185017854e-16 1.780638116610150e-16 6.600000000000000e-15 -8.257831301628004e-16 PASS
Dipole [step 5] -7.295426719525311e-01 -7.295426719525250e-01 3.650000000000000e-14 -6.106226635438361e-15 PASS
Dipole [step 10] -1.337803863058590e+00 -1.337803863058600e+00 1.970000000000000e-14 9.992007221626409e-15 PASS
Dipole [step 15] -1.828601499014712e+00 -1.828601499014715e+00 1.830000000000000e-14 3.330669073875470e-15 PASS
Dipole [step 20] -2.205209055720840e+00 -2.205209055720854e+00 2.210000000000000e-14 1.376676550535194e-14 PASS
Compare to other inputs