Input 06-caetrs.02-kick.inp

Commits > Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 > Run intel-2022b

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 4.085620730620576e-14 PASS
Energy [step 5] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 1.243449787580175e-14 PASS
Energy [step 10] -1.042953043332984e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 15] -1.042951704575811e+01 -1.042951704575810e+01 5.210000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -3.552713678800501e-15 PASS
Dipole [step 1] 1.188968967225958e-15 1.780638116610150e-16 6.600000000000000e-15 1.010905155564943e-15 PASS
Dipole [step 5] -7.296268646591293e-01 -7.296268646591400e-01 3.650000000000000e-14 1.065814103640150e-14 PASS
Dipole [step 10] -1.339614999322742e+00 -1.339614999322740e+00 1.100000000000000e-14 -2.220446049250313e-15 PASS
Dipole [step 15] -1.834337869774244e+00 -1.834337869774330e+00 9.170000000000000e-14 8.615330671091215e-14 PASS
Dipole [step 20] -2.215787801056109e+00 -2.215787801056110e+00 1.110000000000000e-14 8.881784197001252e-16 PASS
Compare to other inputs