Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386753e-01 -5.571785867386825e-01 6.260000000000001e-14 7.216449660063518e-15 PASS
Energy [step 5] -5.157175387706990e-01 -5.157175387707220e-01 5.360000000000000e-14 2.298161660974074e-14 PASS
Energy [step 10] -5.157175387705640e-01 -5.157175387705686e-01 4.190000000000000e-14 4.551914400963142e-15 PASS
Energy [step 15] -5.157175387705463e-01 -5.157175387705311e-01 4.380000000000000e-14 -1.521005543736464e-14 PASS
Energy [step 20] -5.157175387705729e-01 -5.157175387705559e-01 4.870000000000000e-14 -1.698641227676490e-14 PASS
Dipole [step 1] 2.867197026981303e-16 -7.379220068245151e-16 2.960000000000000e-15 1.024641709522645e-15 PASS
Dipole [step 5] -1.928249235315485e-01 -1.928249235315500e-01 9.640000000000000e-14 1.471045507628332e-15 PASS
Dipole [step 10] -3.545506487499283e-01 -3.545506487499300e-01 1.770000000000000e-14 1.720845688168993e-15 PASS
Dipole [step 15] -4.859711921536380e-01 -4.859711921536400e-01 2.430000000000000e-14 1.998401444325282e-15 PASS
Dipole [step 20] -6.087147749202575e-01 -6.087147749202590e-01 3.040000000000000e-14 1.554312234475219e-15 PASS
Compare to other inputs