Match Total energy
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss_cuda_mpi_omp_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)