Match Partial charge 1
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run cmake_foss_2022a_full_mpi >
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)