Match Partial charge 1
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
3.966000000000000e+00 | 3.973000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)