Match Hartree energy
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
3.356150014700000e+02 | 3.356149938300000e+02 | 8.410000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)