Match Density matrix (Re) [step 50]
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Run cuda-mpi: [foss2022a-cuda-mpi] >
Input 02-qd_2e_2d.02-td.inp
Value | Reference | Precision | Status |
8.235000000000001e-02 | 8.235000000000001e-02 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(output_iter/td.0000050/modelmb/densmatr_ip001_imb01, 41905, 5)