Match Initial energy
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
Run intel-2022a_impi >
Input 21-scissor.01-gs.inp
Value | Reference | Precision | Status |
-4.174917300000000e-01 | -4.174745000000000e-01 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)