Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893944e-01 -5.571938259894010e-01 2.390000000000000e-14 6.661338147750939e-15 PASS
Energy [step 5] -5.157327347418356e-01 -5.157327347418511e-01 2.490000000000000e-14 1.554312234475219e-14 PASS
Energy [step 10] -5.157327347417050e-01 -5.157327347416979e-01 3.030000000000000e-14 -7.105427357601002e-15 PASS
Energy [step 15] -5.157327347416606e-01 -5.157327347416708e-01 2.780000000000000e-14 1.021405182655144e-14 PASS
Energy [step 20] -5.157327347416775e-01 -5.157327347416979e-01 4.100000000000000e-14 2.042810365310288e-14 PASS
Dipole [step 1] 1.877192188314263e-15 -7.379220068245151e-16 5.560000000000000e-15 2.615114195138778e-15 PASS
Dipole [step 5] -1.928247888208881e-01 -1.928247888208892e-01 4.590000000000000e-15 1.082467449009528e-15 PASS
Dipole [step 10] -3.545495747886662e-01 -3.545495747886674e-01 4.430000000000000e-15 1.165734175856414e-15 PASS
Dipole [step 15] -4.859689858458445e-01 -4.859689858458459e-01 4.950000000000000e-15 1.387778780781446e-15 PASS
Dipole [step 20] -6.087120870676858e-01 -6.087120870676892e-01 6.960000000000000e-15 3.441691376337985e-15 PASS
Compare to other inputs