Match Kinetic energy
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022b >
Input 09-vdw_ts_sc.01-gs.inp
Value | Reference | Precision | Status |
2.076811820000000e+01 | 2.076811820000000e+01 | 1.040000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)