Input 15-crank_nicolson.02-kick.inp

Commits > Commit 0043f87fd1086e2efddabd576c31b5184d964264 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 5.290000000000000e-14 3.019806626980426e-14 PASS
Energy [step 5] -1.042950046762283e+01 -1.042950046762280e+01 5.210000000000000e-13 -3.019806626980426e-14 PASS
Energy [step 10] -1.042949455599582e+01 -1.042949455599585e+01 5.470000000000000e-14 3.019806626980426e-14 PASS
Energy [step 15] -1.042949281135010e+01 -1.042949281135020e+01 5.210000000000000e-13 9.947598300641403e-14 PASS
Energy [step 20] -1.042949283327543e+01 -1.042949283327550e+01 5.210000000000000e-13 6.750155989720952e-14 PASS
Dipole [step 1] -5.166006511458932e-15 1.780638116610150e-16 6.520000000000000e-15 -5.344070323119946e-15 PASS
Dipole [step 5] -7.295378386569040e-01 -7.295378386572620e-01 3.920000000000000e-13 3.579359031391505e-13 PASS
Dipole [step 10] -1.339265779872159e+00 -1.339265779872980e+00 8.630000000000000e-13 8.211209490127658e-13 PASS
Dipole [step 15] -1.833833176923835e+00 -1.833833176924580e+00 8.250000000000000e-13 7.449596495234800e-13 PASS
Dipole [step 20] -2.215306230136515e+00 -2.215306230136700e+00 1.110000000000000e-12 1.847411112976260e-13 PASS
Compare to other inputs