Match Partial charge 3
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_foss-2023b_serial >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)