Match Partial charge 1
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 20-eigensolver.05-rmmdiis.inp
| Value | Reference | Precision | Status |
| 4.157000000000000e+00 | 4.157000000000000e+00 | 2.080000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)