Match SCF convergence
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.450000000000000e-07 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')