Match Density matrix 1
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 02-qd_2e_2d.01-gs.inp
Value | Reference | Precision | Status |
8.243000000000000e-02 | 8.243000000000000e-02 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(static/modelmb/densmatr_ip001_imb01, 41905, 5)