Match Initial energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 06-caetrs.01-gs.inp
Value | Reference | Precision | Status |
-1.060686763000000e+01 | -1.060686763000000e+01 | 5.300000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)