Input 06-caetrs.03-kick-tp1.inp

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run foss-mpi-opt-full: [foss2023a-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] -1.040743417507013e+01 -1.040743417507012e+01 1.040000000000000e-13 -8.881784197001252e-15 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] -3.301531140489922e-16 1.780638116610150e-16 6.600000000000000e-15 -5.082169257100071e-16 PASS
Dipole [step 5] -7.295426719525300e-01 -7.295426719525250e-01 3.650000000000000e-14 -4.996003610813204e-15 PASS
Dipole [step 10] -1.337803863058588e+00 -1.337803863058600e+00 1.970000000000000e-14 1.176836406102666e-14 PASS
Dipole [step 15] -1.828601499014710e+00 -1.828601499014715e+00 1.830000000000000e-14 5.107025913275720e-15 PASS
Dipole [step 20] -2.205209055720837e+00 -2.205209055720854e+00 2.690000000000000e-14 1.687538997430238e-14 PASS
Compare to other inputs