Match Partial charge 60
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run foss-2022a_opt >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.998000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)