Match Exchange energy
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run cmake_foss_2022a_min_mpi >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-3.067801600000000e-01 | -3.067869100000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)