Match Partial charge 2
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run foss-2022a_ppc >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)