Input 15-crank_nicolson.02-kick.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 2.309263891220326e-14 PASS
Energy [step 5] -1.042950046762284e+01 -1.042950046762280e+01 5.210000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 10] -1.042949455599584e+01 -1.042949455599585e+01 5.470000000000000e-14 1.421085471520200e-14 PASS
Energy [step 15] -1.042949281135011e+01 -1.042949281135020e+01 5.210000000000000e-13 8.881784197001252e-14 PASS
Energy [step 20] -1.042949283327543e+01 -1.042949283327550e+01 5.210000000000000e-13 6.572520305780927e-14 PASS
Dipole [step 1] 1.561251128379126e-15 1.780638116610150e-16 6.520000000000000e-15 1.383187316718111e-15 PASS
Dipole [step 5] -7.295378386568991e-01 -7.295378386572620e-01 3.920000000000000e-13 3.628208844475012e-13 PASS
Dipole [step 10] -1.339265779872153e+00 -1.339265779872980e+00 8.630000000000000e-13 8.271161533457416e-13 PASS
Dipole [step 15] -1.833833176923830e+00 -1.833833176924580e+00 8.250000000000000e-13 7.498446308318307e-13 PASS
Dipole [step 20] -2.215306230136507e+00 -2.215306230136700e+00 1.110000000000000e-12 1.931788062847772e-13 PASS
Compare to other inputs