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

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > 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 -1.065814103640150e-14 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 -5.329070518200751e-15 PASS
Energy [step 15] -1.040742113639586e+01 -1.040742113639585e+01 1.040000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 20] -1.040741451973633e+01 -1.040741451973633e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Dipole [step 1] -9.830934894275445e-16 1.494990959640600e-16 6.600000000000000e-15 -1.132592585391604e-15 PASS
Dipole [step 5] -7.295426719525312e-01 -7.295426719525300e-01 3.650000000000000e-14 -1.221245327087672e-15 PASS
Dipole [step 10] -1.337803863058592e+00 -1.337803863058586e+00 1.340000000000000e-14 -5.773159728050814e-15 PASS
Dipole [step 15] -1.828601499014710e+00 -1.828601499014712e+00 1.830000000000000e-14 2.220446049250313e-15 PASS
Dipole [step 20] -2.205209055720842e+00 -2.205209055720848e+00 2.210000000000000e-14 6.217248937900877e-15 PASS
Compare to other inputs