Match SCF convergence
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run valgrind: [foss2023a-serial] >
Input 14-quadrupole-pot.01-hydrogen-gs.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.000000000000000e-08 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')