Match Partial charge 2
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss-mpi-min: [foss2022a-mpi] >
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, 3)