Match Partial charge 2
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_autotools: [foss2022a-serial] >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)