Match B3LYP Fock Total
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 03-xc.b3lyp_fock.inp
Value | Reference | Precision | Status |
-5.763843000000000e-01 | -5.764007400000000e-01 | 1.810000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)