Input 15-crank_nicolson.02-kick.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056699e+01 -1.058495024056700e+01 1.060000000000000e-13 1.243449787580175e-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 1.065814103640150e-14 PASS
Energy [step 15] -1.042949281135011e+01 -1.042949281135020e+01 5.210000000000000e-13 8.881784197001252e-14 PASS
Energy [step 20] -1.042949283327544e+01 -1.042949283327550e+01 5.210000000000000e-13 6.217248937900877e-14 PASS
Dipole [step 1] 1.186550857568136e-15 1.780638116610150e-16 6.520000000000000e-15 1.008487045907121e-15 PASS
Dipole [step 5] -7.295378386568983e-01 -7.295378386572620e-01 3.920000000000000e-13 3.637090628672013e-13 PASS
Dipole [step 10] -1.339265779872153e+00 -1.339265779872980e+00 8.630000000000000e-13 8.273381979506667e-13 PASS
Dipole [step 15] -1.833833176923830e+00 -1.833833176924580e+00 8.250000000000000e-13 7.502887200416808e-13 PASS
Dipole [step 20] -2.215306230136506e+00 -2.215306230136700e+00 1.110000000000000e-12 1.940669847044774e-13 PASS
Compare to other inputs