Match Partial charge 2
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_autotools: [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)