Match Partial charge 1
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run spack_intel-2023a_serial_omp >
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)