https://gitlab.com/januseriksen/pymbe
Tip revision: b54d6b8447dc75886bcdc3e056677180baef880e authored by Janus Juul Eriksen on 07 November 2017, 10:28:06 UTC
symmetry also for open-shell
symmetry also for open-shell
Tip revision: b54d6b8
| File | Mode | Size |
|---|---|---|
| examples | ||
| .gitignore | -rw-r--r-- | 5 bytes |
| README.md | -rw-r--r-- | 240 bytes |
| bg_calc.py | -rwxr-xr-x | 9.4 KB |
| bg_drv.py | -rwxr-xr-x | 7.0 KB |
| bg_exp.py | -rwxr-xr-x | 2.5 KB |
| bg_init.py | -rwxr-xr-x | 4.5 KB |
| bg_kernel.py | -rwxr-xr-x | 10.7 KB |
| bg_main.py | -rwxr-xr-x | 1.2 KB |
| bg_mol.py | -rwxr-xr-x | 4.4 KB |
| bg_mpi.py | -rwxr-xr-x | 9.8 KB |
| bg_prt.py | -rwxr-xr-x | 13.4 KB |
| bg_pyscf.py | -rwxr-xr-x | 17.9 KB |
| bg_res.py | -rwxr-xr-x | 10.5 KB |
| bg_rst.py | -rwxr-xr-x | 4.6 KB |
| bg_screen.py | -rwxr-xr-x | 8.2 KB |
