Input 23-go-na2.03-fire.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -4.169940300000000e-01 | -4.169940000000000e-01 | 2.080000000000000e-07 | -3.000000003972048e-08 | PASS |
| Force [1] | 3.849769810000000e-03 | 3.849761110000000e-03 | 9.570000000000001e-09 | 8.699999999930985e-09 | PASS |
| Force [2] | -3.849769810000000e-03 | -3.849761110000000e-03 | 9.570000000000001e-09 | -8.699999999930985e-09 | PASS |
| Geometry [1] | -1.565792000000000e+00 | -1.565792000000000e+00 | 7.830000000000000e-06 | 0.000000000000000e+00 | PASS |
| Geometry [2] | 1.565792000000000e+00 | 1.565792000000000e+00 | 7.830000000000000e-06 | 0.000000000000000e+00 | PASS |