Input 06-caetrs.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 5.290000000000000e-14 2.131628207280301e-14 PASS
Energy [step 5] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.664535259100376e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -2.309263891220326e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -8.881784197001252e-15 PASS
Dipole [step 1] 1.332267629550188e-15 1.780638116610150e-16 6.600000000000000e-15 1.154203817889173e-15 PASS
Dipole [step 5] -7.296268646591285e-01 -7.296268646591400e-01 3.650000000000000e-14 1.143529715363911e-14 PASS
Dipole [step 10] -1.339614999322742e+00 -1.339614999322740e+00 1.100000000000000e-14 -1.554312234475219e-15 PASS
Dipole [step 15] -1.834337869774242e+00 -1.834337869774330e+00 9.170000000000000e-14 8.770761894538737e-14 PASS
Dipole [step 20] -2.215787801056106e+00 -2.215787801056110e+00 1.110000000000000e-14 3.996802888650564e-15 PASS
Compare to other inputs