Input 10-bomd.03-td_restart.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run address-sanitizer: [foss2023a-serial, ci-foss-full]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125198645429e+01 -1.058125197929708e+01 8.700000000000000e-09 -7.157209935826359e-09 PASS
Energy [step 2] -1.058226791296237e+01 -1.058226790610678e+01 8.160000000000000e-09 -6.855589873566714e-09 PASS
Energy [step 3] -1.058222764055069e+01 -1.058222763507127e+01 9.060000000000000e-09 -5.479424913801267e-09 PASS
Energy [step 4] -1.058219875857084e+01 -1.058219875382902e+01 9.840000000000001e-09 -4.741821157949744e-09 PASS
Forces [step 1] -2.249842031290019e-01 -2.249842127905284e-01 1.150000000000000e-08 9.661526467752424e-09 PASS
Forces [step 2] -2.378811138827109e-01 -2.378811867300932e-01 1.360000000000000e-07 7.284738226531751e-08 PASS
Forces [step 3] -2.490665965774050e-01 -2.490668206371630e-01 1.230000000000000e-06 2.240597579972192e-07 PASS
Forces [step 4] -2.574356372750579e-01 -2.574373063428386e-01 2.150000000000000e-06 1.669067780707412e-06 PASS
Compare to other inputs