Match Partial charge 2
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
9.350000000000001e-01 | 9.320000000000001e-01 | 4.660000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)