Match Partial charge 25
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Run intel-2022a >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.997000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)