Match Hartree energy
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run eb_foss-2022a_mpi_debug >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356159261400000e+02 | 3.356159261400000e+02 | 1.680000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)