Input 06-caetrs.02-kick.inp

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run foss-mpi-min: [foss2023a-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 1.776356839400250e-15 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 3.552713678800501e-15 PASS
Energy [step 20] -1.040741451973633e+01 -1.040741451973633e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] -5.329070518200751e-15 1.780638116610150e-16 6.600000000000000e-15 -5.507134329861766e-15 PASS
Dipole [step 5] -7.295426719525215e-01 -7.295426719525250e-01 3.650000000000000e-14 3.441691376337985e-15 PASS
Dipole [step 10] -1.337803863058618e+00 -1.337803863058600e+00 1.970000000000000e-14 -1.754152378907747e-14 PASS
Dipole [step 15] -1.828601499014724e+00 -1.828601499014715e+00 1.830000000000000e-14 -8.659739592076221e-15 PASS
Dipole [step 20] -2.205209055720870e+00 -2.205209055720854e+00 2.690000000000000e-14 -1.554312234475219e-14 PASS
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