Match SCF convergence
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_foss-2022a_cuda_mpi_omp >
Input 38-carbon_atom_cgal_box.01-gs.inp
| Value | Reference | Precision | Status |
| 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')