Input 06-caetrs.04-kick-tp2.inp

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Run foss-mpi-omp-full: [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 0.000000000000000e+00 PASS
Energy [step 10] -1.040743417507013e+01 -1.040743417507012e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 15] -1.040742113639585e+01 -1.040742113639585e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.040741451973634e+01 -1.040741451973633e+01 1.040000000000000e-13 -5.329070518200751e-15 PASS
Dipole [step 1] 6.119053018189408e-16 1.494990959640600e-16 6.600000000000000e-15 4.624062058548807e-16 PASS
Dipole [step 5] -7.295426719525291e-01 -7.295426719525300e-01 3.650000000000000e-14 8.881784197001252e-16 PASS
Dipole [step 10] -1.337803863058590e+00 -1.337803863058586e+00 1.340000000000000e-14 -3.774758283725532e-15 PASS
Dipole [step 15] -1.828601499014708e+00 -1.828601499014712e+00 1.830000000000000e-14 3.774758283725532e-15 PASS
Dipole [step 20] -2.205209055720842e+00 -2.205209055720848e+00 2.210000000000000e-14 6.661338147750939e-15 PASS
Compare to other inputs