Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386779e-01 -5.571785867386825e-01 6.260000000000001e-14 4.551914400963142e-15 PASS
Energy [step 5] -5.157175387707195e-01 -5.157175387707220e-01 5.360000000000000e-14 2.553512956637860e-15 PASS
Energy [step 10] -5.157175387705640e-01 -5.157175387705686e-01 4.190000000000000e-14 4.551914400963142e-15 PASS
Energy [step 15] -5.157175387705267e-01 -5.157175387705311e-01 4.380000000000000e-14 4.329869796038111e-15 PASS
Energy [step 20] -5.157175387705489e-01 -5.157175387705559e-01 4.870000000000000e-14 6.994405055138486e-15 PASS
Dipole [step 1] -7.545755402352076e-17 -7.379220068245151e-16 2.960000000000000e-15 6.624644528009943e-16 PASS
Dipole [step 5] -1.928249235315490e-01 -1.928249235315500e-01 9.640000000000000e-14 1.054711873393899e-15 PASS
Dipole [step 10] -3.545506487499291e-01 -3.545506487499300e-01 1.770000000000000e-14 8.326672684688674e-16 PASS
Dipole [step 15] -4.859711921536402e-01 -4.859711921536400e-01 2.430000000000000e-14 -2.220446049250313e-16 PASS
Dipole [step 20] -6.087147749202596e-01 -6.087147749202590e-01 3.040000000000000e-14 -5.551115123125783e-16 PASS
Compare to other inputs