Match Partial charge 2
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run intel-2022b >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)