Match Partial charge 30
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_intel-2023a_serial >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.998000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)