Input 16-bomd.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828874e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010814543178640e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217463463376589e-09 | PASS |
| Energy [step 3] | -1.058145774227800e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509665364414104e-09 | PASS |
| Energy [step 4] | -1.058134610371681e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.344110931559953e-09 | PASS |
| Forces [step 1] | -1.538478572155785e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994453200341e-07 | PASS |
| Forces [step 2] | -1.732216535537935e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557400812432171e-08 | PASS |
| Forces [step 3] | -1.918267217216410e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697889970038059e-07 | PASS |
| Forces [step 4] | -2.092291818780304e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -9.946838461227792e-08 | PASS |