Input 16-sparskit.02-kick.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 1.060000000000000e-13 3.019806626980426e-14 PASS
Energy [step 5] -1.042950048806357e+01 -1.042950048806360e+01 5.210000000000000e-14 2.664535259100376e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -4.618527782440651e-14 PASS
Energy [step 15] -1.042949286373712e+01 -1.042949286373710e+01 5.210000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 20] -1.042949290569553e+01 -1.042949290569560e+01 5.210000000000000e-13 6.572520305780927e-14 PASS
Dipole [step 1] -5.166006511458932e-15 -4.333620525691201e-16 7.190000000000000e-15 -4.732644458889811e-15 PASS
Dipole [step 5] -7.295378300608475e-01 -7.295378300608580e-01 3.650000000000000e-14 1.054711873393899e-14 PASS
Dipole [step 10] -1.339265738796751e+00 -1.339265738796780e+00 1.000000000000000e-10 2.842170943040401e-14 PASS
Dipole [step 15] -1.833833130199218e+00 -1.833833130199210e+00 9.170000000000000e-14 -7.993605777301127e-15 PASS
Dipole [step 20] -2.215306184110939e+00 -2.215306184110940e+00 1.110000000000000e-13 8.881784197001252e-16 PASS
Compare to other inputs