Match SCF convergence
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss-mpi-full: [foss2023a-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')