Match Partial charge 45
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Run spack_intel-2023a_serial_omp >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)