Match Tamm-Dancoff spectrum tot
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 01-casida.09-spectrum.inp
Value | Reference | Precision | Status |
8.294700000000001e+00 | 8.294709000000001e+00 | 1.540000000000000e-05 | PASS |
Command: LINEFIELD(casida/spectrum.tamm_dancoff, 532, 5)