Match Partial charge 2
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run intel-serial: [intel2023a-serial] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
9.350000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)