Match Partial charge 5
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2022a-serial, foss-full] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)