Match Partial charge 1
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.258000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)