Input 15-crank_nicolson.02-kick.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -7.105427357601002e-15 PASS
Energy [step 5] -1.042952410766965e+01 -1.042952410766969e+01 1.040000000000000e-13 4.085620730620576e-14 PASS
Energy [step 10] -1.042951819589648e+01 -1.042951819589651e+01 1.040000000000000e-13 2.664535259100376e-14 PASS
Energy [step 15] -1.042951645116269e+01 -1.042951645116274e+01 1.040000000000000e-13 5.151434834260726e-14 PASS
Energy [step 20] -1.042951647298849e+01 -1.042951647298858e+01 1.130000000000000e-13 9.414691248821327e-14 PASS
Dipole [step 1] 1.727784582072900e-15 1.780638116610150e-16 6.520000000000000e-15 1.549720770411885e-15 PASS
Dipole [step 5] -7.295369687089861e-01 -7.295369687093400e-01 3.930000000000000e-13 3.539391002504999e-13 PASS
Dipole [step 10] -1.339262978999548e+00 -1.339262979000332e+00 8.650000000000001e-13 7.840394999902855e-13 PASS
Dipole [step 15] -1.833828239415429e+00 -1.833828239416189e+00 8.390000000000000e-13 7.598366380534571e-13 PASS
Dipole [step 20] -2.215299445825478e+00 -2.215299445825728e+00 2.800000000000000e-13 2.504663143554353e-13 PASS
Compare to other inputs