Match SCF convergence
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run valgrind: [foss2023a-serial] >
Input 09-spinors.01-ground_state.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')