Input 15-crank_nicolson.02-kick.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056700e+01 1.060000000000000e-13 5.329070518200751e-14 PASS
Energy [step 5] -1.042950046762292e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.190159082398168e-13 PASS
Energy [step 10] -1.042949455599585e+01 -1.042949455599585e+01 5.470000000000000e-14 0.000000000000000e+00 PASS
Energy [step 15] -1.042949281135021e+01 -1.042949281135020e+01 5.210000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.042949283327556e+01 -1.042949283327550e+01 5.210000000000000e-13 -5.861977570020827e-14 PASS
Dipole [step 1] 2.684213142283963e-15 1.780638116610150e-16 6.520000000000000e-15 2.506149330622948e-15 PASS
Dipole [step 5] -7.295378386575985e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.365085987638849e-13 PASS
Dipole [step 10] -1.339265779873710e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.300826609935029e-13 PASS
Dipole [step 15] -1.833833176925323e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.429612480791548e-13 PASS
Dipole [step 20] -2.215306230136989e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.891020756123908e-13 PASS
Compare to other inputs