Match Initial energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022b >
Input 18-hhg.01-gs.inp
Value | Reference | Precision | Status |
-6.697774600000000e-01 | -6.697771600000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)