Match Kinetic energy
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
1.740758261600000e+02 | 1.740758280600000e+02 | 2.570000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)