Match Partial charge 2
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_intel-2023a_serial_omp >
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)