Match Initial energy
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-bomd.01-gs.inp
Value | Reference | Precision | Status |
-1.060379974000000e+01 | -1.060379974000000e+01 | 5.300000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)