Input 15-crank_nicolson.02-kick.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-mpi-min: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 5] -1.042952410766966e+01 -1.042952410766969e+01 1.040000000000000e-13 3.375077994860476e-14 PASS
Energy [step 10] -1.042951819589649e+01 -1.042951819589651e+01 1.040000000000000e-13 2.131628207280301e-14 PASS
Energy [step 15] -1.042951645116269e+01 -1.042951645116274e+01 1.040000000000000e-13 5.151434834260726e-14 PASS
Energy [step 20] -1.042951647298848e+01 -1.042951647298858e+01 1.130000000000000e-13 9.592326932761353e-14 PASS
Dipole [step 1] 4.440892098500626e-15 1.780638116610150e-16 6.520000000000000e-15 4.262828286839611e-15 PASS
Dipole [step 5] -7.295369687089804e-01 -7.295369687093400e-01 3.930000000000000e-13 3.596012376760882e-13 PASS
Dipole [step 10] -1.339262978999546e+00 -1.339262979000332e+00 8.650000000000001e-13 7.853717676198357e-13 PASS
Dipole [step 15] -1.833828239415425e+00 -1.833828239416189e+00 8.390000000000000e-13 7.636113963371827e-13 PASS
Dipole [step 20] -2.215299445825471e+00 -2.215299445825728e+00 2.800000000000000e-13 2.575717417130363e-13 PASS
Compare to other inputs