Input 06-caetrs.02-kick.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056696e+01 1.060000000000000e-13 1.243449787580175e-14 PASS
Energy [step 5] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.486899575160351e-14 PASS
Energy [step 10] -1.042953043332984e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 15] -1.042951704575810e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 0.000000000000000e+00 PASS
Dipole [step 1] 2.684213142283963e-15 1.780638116610150e-16 6.600000000000000e-15 2.506149330622948e-15 PASS
Dipole [step 5] -7.296268646591284e-01 -7.296268646591400e-01 3.650000000000000e-14 1.154631945610163e-14 PASS
Dipole [step 10] -1.339614999322743e+00 -1.339614999322740e+00 1.100000000000000e-14 -2.664535259100376e-15 PASS
Dipole [step 15] -1.834337869774241e+00 -1.834337869774242e+00 1.830000000000000e-14 6.661338147750939e-16 PASS
Dipole [step 20] -2.215787801056110e+00 -2.215787801056110e+00 1.110000000000000e-14 0.000000000000000e+00 PASS
Compare to other inputs