Input 10-bomd.02-td.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472506e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013262362903333e-09 PASS
Energy [step 2] -1.058156235008336e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285460626831991e-09 PASS
Energy [step 3] -1.058143100320453e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484927736328245e-09 PASS
Energy [step 4] -1.058131936460799e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.206688331009900e-09 PASS
Forces [step 1] -1.538556239289451e-01 -1.538555154672571e-01 1.190000000000000e-07 -1.084616879920564e-07 PASS
Forces [step 2] -1.732296851461494e-01 -1.732297733830663e-01 9.710000000000000e-08 8.823691691195457e-08 PASS
Forces [step 3] -1.918349264859133e-01 -1.918348057889193e-01 1.330000000000000e-07 -1.206969940104052e-07 PASS
Forces [step 4] -2.092373884891997e-01 -2.092371333696214e-01 2.830000000000000e-07 -2.551195782685145e-07 PASS
Compare to other inputs