Match Partial charge 3
Commits >
Commit d3675615d01b7319f97a471d787a8168906684ed >
Run eb_foss-2022a_valgrind >
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, 4)