Match Partial charge 1
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 20-eigensolver.05-rmmdiis.inp
Value | Reference | Precision | Status |
4.157000000000000e+00 | 4.157000000000000e+00 | 2.080000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)