Match SCF convergence
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run valgrind: [foss2023a-serial] >
Input 04-ACBN0_isolated.02-H_packed.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 7.020000000000000e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')