Match Partial charge 1
Commits >
Commit 4b7a334ce1857269604388697d6e11d007df5aba >
Run intel-2022a >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.274000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)