Match SCF convergence
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 20-eigensolver.05-rmmdiis.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.810000000000000e-02 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')