Match Total energy
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 10-vdw_d3_dna.02-gs_d3.inp
Value | Reference | Precision | Status |
-3.028060281600000e+02 | -3.028060178000000e+02 | 1.150000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)