Match Ion-ion energy
Commits >
Commit b45a8fef6ff6ab58f3c67555688c7395ac2833ed >
Run intel-serial-debug: [intel2023a-serial] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
1.601151136450000e+03 | 1.601151136450000e+03 | 8.010000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Ion-ion =', 3)