Match SCF convergence
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run valgrind: [foss2023a-serial] >
Input 33-cg.03-cg_direction.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.780000000000000e-02 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')