Match Exchange energy
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run valgrind: [foss2023a-serial] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-3.067813600000000e-01 | -3.067869100000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)