Match Partial charge 20
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 21)