Match Partial charge 4
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Run foss-2022a_mpi_omp >
Input 20-eigensolver.04-evolution.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)