Match Initial energy
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run intel-2022a >
Input 10-bomd.01-gs.inp
Value | Reference | Precision | Status |
-1.060377305000000e+01 | -1.060377304000000e+01 | 5.300000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)