Match Partial charge 4
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_intel-2023a_serial >
Input 20-eigensolver.05-rmmdiis.inp
Value | Reference | Precision | Status |
9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 5)