Match SCF convergence
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss-mpi-min: [foss2023a-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')