Match Total energy
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_foss-2022a_serial_opt >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-1.016394176000000e+01 | -1.016393580000000e+01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)