Match SCF convergence
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_autotools: [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')