Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874431e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 5] -1.014064572817561e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.243449787580175e-14 PASS
Energy [step 10] -1.013378662931814e+01 -1.013378662931820e+01 5.070000000000000e-13 5.684341886080801e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.236344360222574e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -1.776356839400250e-15 PASS
Dipole [step 1] 1.332267629550188e-15 -7.216449660063501e-16 5.480000000000000e-15 2.053912595556538e-15 PASS
Dipole [step 5] -3.955589211257051e-01 -3.955589211257070e-01 1.980000000000000e-14 1.887379141862766e-15 PASS
Dipole [step 10] -7.406769413990195e-01 -7.406769413990340e-01 3.700000000000000e-14 1.443289932012704e-14 PASS
Dipole [step 15] -1.039087772402136e+00 -1.039087772402140e+00 5.200000000000000e-14 3.996802888650564e-15 PASS
Dipole [step 20] -1.295835165527735e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.487698852997710e-14 PASS
Projections 6.938893903907228e-17 1.179611963664229e-16 3.610000000000000e-14 -4.857225732735060e-17 PASS
Projections 9.999999999999998e-01 1.000000000000000e+00 3.940000000000000e-14 -2.220446049250313e-16 PASS
Compare to other inputs