Input 06-caetrs.02-kick.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056696e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Energy [step 5] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 7.105427357601002e-15 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 -8.881784197001252e-15 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 1] -2.426272073877134e-16 1.780638116610150e-16 6.600000000000000e-15 -4.206910190487284e-16 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 -2.220446049250313e-15 PASS
Dipole [step 15] -1.834337869774246e+00 -1.834337869774242e+00 1.830000000000000e-14 -3.996802888650564e-15 PASS
Dipole [step 20] -2.215787801056114e+00 -2.215787801056110e+00 1.110000000000000e-14 -3.552713678800501e-15 PASS
Compare to other inputs