Match Partial charge 20
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run foss-2022a_mpi_omp >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.998000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 21)