Input 16-bomd.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_serial_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472506e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013260586546494e-09 PASS
Energy [step 2] -1.058156235008337e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285467732259349e-09 PASS
Energy [step 3] -1.058143100320452e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484917078187209e-09 PASS
Energy [step 4] -1.058131936460833e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.207025838809386e-09 PASS
Forces [step 1] -1.538556239289460e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616959856621e-07 PASS
Forces [step 2] -1.732296851461946e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823684538583620e-08 PASS
Forces [step 3] -1.918349264767135e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206823835586679e-07 PASS
Forces [step 4] -2.092373894940629e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.553997798804275e-07 PASS
Compare to other inputs