Match Partial charge 30
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run intel-2022a_impi >
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, 31)