Match SCF convergence
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')