Match Kinetic energy
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
1.835032177000000e+01 | 1.835032177000000e+01 | 9.180000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)