Match Hartree energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 04-ACBN0_isolated.01-H_unpacked.inp
Value | Reference | Precision | Status |
3.090383600000000e-01 | 3.090383600000000e-01 | 1.550000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)