Input 15-crank_nicolson.02-kick.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056700e+01 1.060000000000000e-13 4.796163466380676e-14 PASS
Energy [step 5] -1.042950046762293e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.314504061156185e-13 PASS
Energy [step 10] -1.042949455599585e+01 -1.042949455599585e+01 5.470000000000000e-14 -3.552713678800501e-15 PASS
Energy [step 15] -1.042949281135021e+01 -1.042949281135020e+01 5.210000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 20] -1.042949283327557e+01 -1.042949283327550e+01 5.210000000000000e-13 -6.750155989720952e-14 PASS
Dipole [step 1] -1.323319322773641e-15 1.780638116610150e-16 6.520000000000000e-15 -1.501383134434656e-15 PASS
Dipole [step 5] -7.295378386576027e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.407274462574605e-13 PASS
Dipole [step 10] -1.339265779873714e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.338574192772285e-13 PASS
Dipole [step 15] -1.833833176925329e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.491784970170556e-13 PASS
Dipole [step 20] -2.215306230136989e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.895461648222408e-13 PASS
Compare to other inputs