Match Hartree energy
Commits >
Commit d6f4833c99197407842d58e82c91c418d3d73b88 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
8.788829155000001e+01 | 8.788829173000001e+01 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)