Match Density matrix 1
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
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)