Match Partial charge 1
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)