Match Partial charge 1
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_serial >
Input 17-scfinlcao_alt.01-gs.inp
| Value | Reference | Precision | Status |
| 3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)