Match B3LYP Fock Eigenvalue up
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run spack_foss-2022a_serial_debug >
Input 03-xc.b3lyp_fock.inp
Value | Reference | Precision | Status |
-1.019204000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)