Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874432e+01 -1.022654035874430e+01 5.110000000000000e-13 -1.598721155460225e-14 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 5.151434834260726e-14 PASS
Energy [step 15] -1.012560361793025e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.245226144419576e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -1.243449787580175e-14 PASS
Dipole [step 1] -3.330669073875470e-15 -7.216449660063501e-16 5.480000000000000e-15 -2.609024107869119e-15 PASS
Dipole [step 5] -3.955589211257020e-01 -3.955589211257070e-01 1.980000000000000e-14 4.996003610813204e-15 PASS
Dipole [step 10] -7.406769413990200e-01 -7.406769413990340e-01 3.700000000000000e-14 1.398881011027697e-14 PASS
Dipole [step 15] -1.039087772402134e+00 -1.039087772402140e+00 5.200000000000000e-14 5.551115123125783e-15 PASS
Dipole [step 20] -1.295835165527737e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.709743457922741e-14 PASS
Projections 6.938893903907228e-18 1.179611963664229e-16 3.610000000000000e-14 -1.110223024625157e-16 PASS
Projections 1.000000000000000e+00 1.000000000000000e+00 3.940000000000000e-14 0.000000000000000e+00 PASS
Compare to other inputs