Match Hartree energy
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_autotools: [foss2022a-serial] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356149875100000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)