Match Initial energy
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 16-bomd.01-gs.inp
| Value | Reference | Precision | Status |
| -1.060379974000000e+01 | -1.060379974000000e+01 | 5.300000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)