Match RDMFT converged energy
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 06-rdmft.02-gs_basis.inp
Value | Reference | Precision | Status |
-1.150739994500000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Total Energy ', 4)