Match Initial energy
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022b >
Input 16-bomd.01-gs.inp
Value | Reference | Precision | Status |
-1.060377305000000e+01 | -1.060377304000000e+01 | 5.300000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)