Match Partial charge 15
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run eb_foss-2022b_libxc6 >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 16)