Input 15-crank_nicolson.02-kick.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 1.060000000000000e-13 4.440892098500626e-14 PASS
Energy [step 5] -1.042950046762293e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.332267629550188e-13 PASS
Energy [step 10] -1.042949455599586e+01 -1.042949455599585e+01 5.470000000000000e-14 -8.881784197001252e-15 PASS
Energy [step 15] -1.042949281135021e+01 -1.042949281135020e+01 5.210000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 20] -1.042949283327557e+01 -1.042949283327550e+01 5.210000000000000e-13 -7.460698725481052e-14 PASS
Dipole [step 1] -4.298559677152515e-15 1.780638116610150e-16 6.520000000000000e-15 -4.476623488813530e-15 PASS
Dipole [step 5] -7.295378386576030e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.410605131648481e-13 PASS
Dipole [step 10] -1.339265779873714e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.343015084870785e-13 PASS
Dipole [step 15] -1.833833176925329e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.487344078072056e-13 PASS
Dipole [step 20] -2.215306230136990e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.904343432419410e-13 PASS
Compare to other inputs