Match Partial charge 50
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_min_autotools: [foss2022a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)