Input 16-bomd.02-td.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294472507e+01 -1.058171294371180e+01 1.110000000000000e-09 -1.013267691973851e-09 PASS
Energy [step 2] -1.058156235008337e+01 -1.058156234879790e+01 1.410000000000000e-09 -1.285469508616188e-09 PASS
Energy [step 3] -1.058143100320454e+01 -1.058143100171960e+01 1.630000000000000e-09 -1.484938394469282e-09 PASS
Energy [step 4] -1.058131936460697e+01 -1.058131936040130e+01 4.630000000000000e-09 -4.205670478540924e-09 PASS
Forces [step 1] -1.538556239289487e-01 -1.538555154672500e-01 1.190000000000000e-07 -1.084616987057085e-07 PASS
Forces [step 2] -1.732296851461184e-01 -1.732297733830400e-01 9.710000000000000e-08 8.823692154713569e-08 PASS
Forces [step 3] -1.918349264797560e-01 -1.918348057943300e-01 1.330000000000000e-07 -1.206854260416002e-07 PASS
Forces [step 4] -2.092373889329245e-01 -2.092371340942830e-01 2.830000000000000e-07 -2.548386415501813e-07 PASS
Compare to other inputs