Match Partial charge 4
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 16-scfinlcao_std.01-gs.inp
Value | Reference | Precision | Status |
7.031000000000000e+00 | 7.032000000000000e+00 | 3.520000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)