Match SCF convergence
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss-opt-full: [foss2023a-serial] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')