Match SCF convergence
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e+00 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')