Match Total energy
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 01-casida.01-gs.inp
Value | Reference | Precision | Status |
-1.997082522000000e+01 | -1.997082522000000e+01 | 9.990000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)