Match Exchange energy
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run cuda-serial: [foss2022a-cuda-mpi] >
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)