Match Partial charge 1
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run cmake_foss_2022a_min_mpi >
Input 30-local_multipoles.01-gs.inp
Value | Reference | Precision | Status |
4.274000000000000e+00 | 4.274000000000000e+00 | 2.140000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)