Match Partial charge 3
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run foss-2022a_mpi_omp >
Input 20-eigensolver.01-cg.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)