Match Partial charge 50
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run intel-omp: [intel2022a-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)