Input 15-crank_nicolson.02-kick.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 1.953992523340276e-14 PASS
Energy [step 5] -1.042950046762284e+01 -1.042950046762280e+01 5.210000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 10] -1.042949455599583e+01 -1.042949455599585e+01 5.470000000000000e-14 1.776356839400250e-14 PASS
Energy [step 15] -1.042949281135011e+01 -1.042949281135020e+01 5.210000000000000e-13 8.881784197001252e-14 PASS
Energy [step 20] -1.042949283327543e+01 -1.042949283327550e+01 5.210000000000000e-13 6.572520305780927e-14 PASS
Dipole [step 1] -1.096345236817342e-15 1.780638116610150e-16 6.520000000000000e-15 -1.274409048478357e-15 PASS
Dipole [step 5] -7.295378386569008e-01 -7.295378386572620e-01 3.920000000000000e-13 3.611555499105634e-13 PASS
Dipole [step 10] -1.339265779872157e+00 -1.339265779872980e+00 8.630000000000000e-13 8.231193504570911e-13 PASS
Dipole [step 15] -1.833833176923831e+00 -1.833833176924580e+00 8.250000000000000e-13 7.487344078072056e-13 PASS
Dipole [step 20] -2.215306230136511e+00 -2.215306230136700e+00 1.110000000000000e-12 1.891820033961267e-13 PASS
Compare to other inputs