Input 16-bomd.02-td.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > 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 -1.013269468330691e-09 PASS
Energy [step 2] -1.058156235008336e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285455297761473e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484915301830370e-09 PASS
Energy [step 4] -1.058131936460694e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.205638504117815e-09 PASS
Forces [step 1] -1.538556239289410e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616910174141e-07 PASS
Forces [step 2] -1.732296851461037e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823693625759077e-08 PASS
Forces [step 3] -1.918349264668056e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206724755953292e-07 PASS
Forces [step 4] -2.092373902537049e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.561594218686292e-07 PASS
Compare to other inputs