Match Hartree-Fock Eigenvalue 1 up
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_valgrind_autotools: [foss2023a-serial] >
Input 01-xc_1d.02-wfs-hf.inp
Value | Reference | Precision | Status |
-1.071001000000000e+00 | -1.071001000000000e+00 | 1.070000000000000e-14 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)