Match Partial charge 2
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-serial-full: [foss2023b-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)