Match Partial charge 3
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-mpi-full: [foss2023a-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, 4)