Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit c335ce26b11dabfe3619506d15cfc1285f92daaf > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893748e-01 -5.571938259894033e-01 4.010000000000000e-14 2.842170943040401e-14 PASS
Energy [step 5] -5.157327347418365e-01 -5.157327347418467e-01 2.780000000000000e-14 1.021405182655144e-14 PASS
Energy [step 10] -5.157327347416819e-01 -5.157327347416979e-01 3.030000000000000e-14 1.598721155460225e-14 PASS
Energy [step 15] -5.157327347416553e-01 -5.157327347416570e-01 1.950000000000000e-14 1.776356839400250e-15 PASS
Energy [step 20] -5.157327347416801e-01 -5.157327347416979e-01 4.100000000000000e-14 1.776356839400250e-14 PASS
Dipole [step 1] -2.724231972818514e-15 -7.379220068245151e-16 5.560000000000000e-15 -1.986309965993999e-15 PASS
Dipole [step 5] -1.928247888208914e-01 -1.928247888208892e-01 4.590000000000000e-15 -2.248201624865942e-15 PASS
Dipole [step 10] -3.545495747886693e-01 -3.545495747886674e-01 4.430000000000000e-15 -1.942890293094024e-15 PASS
Dipole [step 15] -4.859689858458457e-01 -4.859689858458450e-01 2.430000000000000e-14 -7.216449660063518e-16 PASS
Dipole [step 20] -6.087120870676911e-01 -6.087120870676892e-01 6.960000000000000e-15 -1.887379141862766e-15 PASS
Compare to other inputs