Input 10-bomd.02-td.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269851e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013292560969603e-09 PASS
Energy [step 2] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285489048541422e-09 PASS
Energy [step 3] -1.058143100023472e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484876221979903e-09 PASS
Energy [step 4] -1.058131935619349e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207812764889240e-09 PASS
Forces [step 1] -1.538554070055677e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616894353463e-07 PASS
Forces [step 2] -1.732298616200073e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823694103154978e-08 PASS
Forces [step 3] -1.918346851037620e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206851573121170e-07 PASS
Forces [step 4] -2.092368782986799e-01 -2.092371333696214e-01 2.830000000000000e-07 2.550709414794738e-07 PASS
Compare to other inputs