Match Partial charge 55
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run intel_omp_autotools: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 56)