Match Partial charge 5
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_intel-2023a_serial_omp >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)