Input 15-crank_nicolson.02-kick.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 3.552713678800501e-14 PASS
Energy [step 5] -1.042950046762292e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.243449787580175e-13 PASS
Energy [step 10] -1.042949455599588e+01 -1.042949455599585e+01 5.470000000000000e-14 -2.486899575160351e-14 PASS
Energy [step 15] -1.042949281135020e+01 -1.042949281135020e+01 5.210000000000000e-13 3.552713678800501e-15 PASS
Energy [step 20] -1.042949283327559e+01 -1.042949283327550e+01 5.210000000000000e-13 -8.704148513061227e-14 PASS
Dipole [step 1] 3.323216701822673e-15 1.780638116610150e-16 6.520000000000000e-15 3.145152890161658e-15 PASS
Dipole [step 5] -7.295378386575992e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.372857548811226e-13 PASS
Dipole [step 10] -1.339265779873699e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.192024753521764e-13 PASS
Dipole [step 15] -1.833833176925319e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.387424005855792e-13 PASS
Dipole [step 20] -2.215306230136981e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.806643806252396e-13 PASS
Compare to other inputs