Input 10-bomd.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472507e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013274797401209e-09 PASS
Energy [step 2] -1.058156235008335e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285449968690955e-09 PASS
Energy [step 3] -1.058143100320453e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484925959971406e-09 PASS
Energy [step 4] -1.058131936460861e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.207306503190011e-09 PASS
Forces [step 1] -1.538556239289429e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616858548770e-07 PASS
Forces [step 2] -1.732296851462171e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823684921610564e-08 PASS
Forces [step 3] -1.918349264884297e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.206995104419128e-07 PASS
Forces [step 4] -2.092373883424219e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.549728005396545e-07 PASS
Compare to other inputs