Match Partial charge 2
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
9.460000000000000e-01 | 9.460000000000000e-01 | 4.730000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)