Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893793e-01 -5.571938259894010e-01 2.390000000000000e-14 2.176037128265307e-14 PASS
Energy [step 5] -5.157327347418338e-01 -5.157327347418511e-01 2.490000000000000e-14 1.731947918415244e-14 PASS
Energy [step 10] -5.157327347416908e-01 -5.157327347416979e-01 3.030000000000000e-14 7.105427357601002e-15 PASS
Energy [step 15] -5.157327347416535e-01 -5.157327347416708e-01 2.780000000000000e-14 1.731947918415244e-14 PASS
Energy [step 20] -5.157327347416784e-01 -5.157327347416979e-01 4.100000000000000e-14 1.953992523340276e-14 PASS
Dipole [step 1] 4.455537501446560e-16 -7.379220068245151e-16 5.560000000000000e-15 1.183475756969171e-15 PASS
Dipole [step 5] -1.928247888208892e-01 -1.928247888208892e-01 4.590000000000000e-15 2.775557561562891e-17 PASS
Dipole [step 10] -3.545495747886669e-01 -3.545495747886674e-01 4.430000000000000e-15 4.440892098500626e-16 PASS
Dipole [step 15] -4.859689858458441e-01 -4.859689858458459e-01 4.950000000000000e-15 1.776356839400250e-15 PASS
Dipole [step 20] -6.087120870676883e-01 -6.087120870676892e-01 6.960000000000000e-15 8.881784197001252e-16 PASS
Compare to other inputs