Match Hartree energy
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_foss-2022a_cuda_mpi_omp >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
5.016541729000000e+01 | 5.016541729000000e+01 | 2.510000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)