Match Partial charge 1
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel-serial: [intel2023a-serial] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.966000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)