Match Partial charge 4
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)