Match Partial charge 1
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run intel_mpi_omp_autotools: [intel2022a-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)