Match Partial charge 3
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Run spack_foss-2022a_cuda_serial >
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)