Input 16-bomd.02-td.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472508e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013281902828567e-09 PASS
Energy [step 2] -1.058156235008338e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285480166757225e-09 PASS
Energy [step 3] -1.058143100320451e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484909972759851e-09 PASS
Energy [step 4] -1.058131936460788e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.206579973242697e-09 PASS
Forces [step 1] -1.538556239289459e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616959579066e-07 PASS
Forces [step 2] -1.732296851461688e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823687114301038e-08 PASS
Forces [step 3] -1.918349264904664e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206961363631187e-07 PASS
Forces [step 4] -2.092373880042351e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.539099521470245e-07 PASS
Compare to other inputs