Match Density matrix 1
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Run foss-mpi-min: [foss2022a-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)