Match Partial charge 1
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_intel-2023a_serial >
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)