Match Partial charge 2
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_mpi_min >
Input 20-eigensolver.05-rmmdiis.inp
| Value | Reference | Precision | Status |
| 9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)