Match Partial charge 2
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)