Match Partial charge 1
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
3.983000000000000e+00 | 3.983000000000000e+00 | 1.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)