Match Partial charge 1
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 33-cg.02-additional_terms.inp
Value | Reference | Precision | Status |
4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)