Match Initial energy
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss-serial-full: [foss2023a-serial] >
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)