Input 23-go-na2.04-fire_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -4.177745300000000e-01 | -4.177745000000000e-01 | 2.090000000000000e-07 | -2.999999998420932e-08 | PASS |
| Force [1] | 4.960734700000001e-04 | 4.960720165000000e-04 | 1.600000000000000e-09 | 1.453500000046792e-09 | PASS |
| Force [2] | -4.960734700000001e-04 | -4.960720165000000e-04 | 1.600000000000000e-09 | -1.453500000046792e-09 | PASS |
| Geometry [1] | -1.475345000000000e+00 | -1.475345000000000e+00 | 7.380000000000000e-06 | 2.220446049250313e-16 | PASS |
| Geometry [2] | 1.475345000000000e+00 | 1.475345500000000e+00 | 5.500000000000000e-07 | -5.000000000698890e-07 | PASS |