Match Partial charge 1
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2022a_cuda_serial >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.973000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)