Input 15-crank_nicolson.02-kick.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 1.060000000000000e-13 3.552713678800501e-14 PASS
Energy [step 5] -1.042950046762294e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.421085471520200e-13 PASS
Energy [step 10] -1.042949455599586e+01 -1.042949455599585e+01 5.470000000000000e-14 -1.065814103640150e-14 PASS
Energy [step 15] -1.042949281135021e+01 -1.042949281135020e+01 5.210000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 20] -1.042949283327558e+01 -1.042949283327550e+01 5.210000000000000e-13 -8.171241461241152e-14 PASS
Dipole [step 1] 1.961337281551189e-15 1.780638116610150e-16 6.520000000000000e-15 1.783273469890174e-15 PASS
Dipole [step 5] -7.295378386575985e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.365085987638849e-13 PASS
Dipole [step 10] -1.339265779873711e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.307487948082780e-13 PASS
Dipole [step 15] -1.833833176925324e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.445155603136300e-13 PASS
Dipole [step 20] -2.215306230136987e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.873257187729905e-13 PASS
Compare to other inputs