Input 10-bomd.02-td.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010805661394443e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217488332372341e-09 | PASS |
| Energy [step 3] | -1.058145774227803e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509668917127783e-09 | PASS |
| Energy [step 4] | -1.058134610370596e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.329955143906773e-09 | PASS |
| Forces [step 1] | -1.538478572155786e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994476515025e-07 | PASS |
| Forces [step 2] | -1.732216535538175e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557401783877317e-08 | PASS |
| Forces [step 3] | -1.918267217263484e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697586854449874e-07 | PASS |
| Forces [step 4] | -2.092291804263685e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.757794486309201e-08 | PASS |