Input 16-bomd.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828874e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010810990464961e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217458134306071e-09 | PASS |
| Energy [step 3] | -1.058145774227818e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509844776454884e-09 | PASS |
| Energy [step 4] | -1.058134610393569e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.562990068597173e-09 | PASS |
| Forces [step 1] | -1.538478572155784e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994452367674e-07 | PASS |
| Forces [step 2] | -1.732216535538836e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557391797421211e-08 | PASS |
| Forces [step 3] | -1.918267217480760e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698154319968893e-07 | PASS |
| Forces [step 4] | -2.092292135988716e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.311892258160086e-07 | PASS |