Match Total energy
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-1.016389355000000e+01 | -1.016393580000000e+01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)