Match SCF convergence
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')