Match Hartree energy
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356150015000000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)