Input 15-crank_nicolson.02-kick.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 1.060000000000000e-13 2.664535259100376e-14 PASS
Energy [step 5] -1.042950046762292e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.243449787580175e-13 PASS
Energy [step 10] -1.042949455599588e+01 -1.042949455599585e+01 5.470000000000000e-14 -3.197442310920451e-14 PASS
Energy [step 15] -1.042949281135019e+01 -1.042949281135020e+01 5.210000000000000e-13 7.105427357601002e-15 PASS
Energy [step 20] -1.042949283327559e+01 -1.042949283327550e+01 5.210000000000000e-13 -8.526512829121202e-14 PASS
Dipole [step 1] -4.212696597810650e-15 1.780638116610150e-16 6.520000000000000e-15 -4.390760409471665e-15 PASS
Dipole [step 5] -7.295378386576059e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.439470930288735e-13 PASS
Dipole [step 10] -1.339265779873707e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.269740365245525e-13 PASS
Dipole [step 15] -1.833833176925329e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.487344078072056e-13 PASS
Dipole [step 20] -2.215306230136989e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.886579864025407e-13 PASS
Compare to other inputs