Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

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] -5.157175387707204e-01 -5.157175387707220e-01 5.360000000000000e-14 1.665334536937735e-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] -8.921168857356325e-16 -7.379220068245151e-16 5.560000000000000e-15 -1.541948789111174e-16 PASS
Dipole [step 5] -1.928249235315493e-01 -1.928249235315500e-01 9.640000000000000e-14 6.661338147750939e-16 PASS
Dipole [step 10] -3.545506487499295e-01 -3.545506487499300e-01 1.770000000000000e-14 4.996003610813204e-16 PASS
Dipole [step 15] -4.859711921536388e-01 -4.859711921536400e-01 2.430000000000000e-14 1.221245327087672e-15 PASS
Dipole [step 20] -6.087147749202587e-01 -6.087147749202590e-01 3.040000000000000e-14 3.330669073875470e-16 PASS
Compare to other inputs